A0A077ZDQ8_TRITR Loading...

DNA mismatch repair protein Msh2

Component of the post-replicative DNA mismatch repair system (MMR).

AlphaFold DB , UniProt , Accession A0A077ZDQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 868 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.1Very low47.1Very low76 Ų7670.5 Ų70.537%0.37435%0.35SS..  0-49.80-92.8-126.1-90.800113.3I3 V4 N5 F34 E35M1-I3 PolarHBondContact O-N 2.87Å; M1-I3 VanDerWaalsContact O-N 3.16Å; M1-V4 PolarHBondContact O-N 3.27Å; M1-N5 PolarHBondContact O-N 2.85Å; M1-F34 VanDerWaalsContact CE-CA 3.42Å; M1-F34 HydrophobicContact CE-CB 3.78Å; M1-F34 HydrophobicContact CE-CD1 3.5Å; M1-F34 HydrophobicContact CE-CG 4.04Å; M1-F34 HydrophobicContact CG-CD1 4.19Å; M1-F34 HydrophobicContact CG-CE1 4.37Å; M1-F34 HydrophobicContact SD-CD1 3.69Å; M1-F34 HydrophobicContact SD-CE1 4.26Å; M1-E35 WeakPolarHBondContact CE-O 3.33Å
2H39.6Very low47.2Very low138 Ų13878 Ų7864%0.63937%0.371SS*.Hα-helixtrans-46.5-42.7167-119.2-68.3000112.1V4 N5 E6H2-V4 PolarHBondContact O-N 3.28Å; H2-N5 PolarHBondContact O-N 2.98Å; H2-E6 PolarHBondContact O-N 3.45Å
3I45.4Very low47Very low44 Ų4472.3 Ų72.323%0.22635%0.345CS..Hα-helixtrans-56.1-41.5175.8-61.5140.1000114.3M1 N5 I7 V74 C76 L81M1-I3 PolarHBondContact O-N 2.87Å; M1-I3 VanDerWaalsContact O-N 3.16Å; I3-N5 VanDerWaalsContact C-N 3.34Å; I3-I7 HydrophobicContact CG2-CD1 4.03Å; I3-I7 WeakPolarHBondContact O-CD1 3.36Å; I3-I7 VanDerWaalsContact O-CG1 3.3Å; I3-I7 WeakPolarHBondContact O-CG1 3.45Å; I3-I7 PolarHBondContact O-N 3.03Å; I3-V74 HydrophobicContact CG2-CG1 4.02Å; I3-C76 HydrophobicContact CG1-CB 3.73Å; I3-L81 HydrophobicContact CB-CD1 4Å; I3-L81 HydrophobicContact CD1-CD1 3.27Å; I3-L81 HydrophobicContact CG1-CD1 3.46Å; I3-L81 VanDerWaalsContact CG1-CD1 3.46Å; I3-L81 HydrophobicContact CG2-CB 4.45Å; I3-L81 HydrophobicContact CG2-CD1 3.39Å
4V51Low47.1Very low14 Ų1474.4 Ų74.49%0.08535%0.352CS..Hα-helixtrans-73.4-34.4-176.3-1770000109.7M1 H2 I7 I8 I16 W118M1-V4 PolarHBondContact O-N 3.27Å; H2-V4 PolarHBondContact O-N 3.28Å; V4-I7 CarbonylContact O-C 3.39Å; V4-I7 PolarHBondContact O-N 2.67Å; V4-I8 HydrophobicContact CG1-CD1 3.79Å; V4-I8 HydrophobicContact CG1-CG1 4.19Å; V4-I8 WeakPolarHBondContact O-CB 3.45Å; V4-I8 WeakPolarHBondContact O-CG1 3.46Å; V4-I8 PolarHBondContact O-N 2.78Å; V4-I16 HydrophobicContact CG1-CD1 3.87Å; V4-I16 HydrophobicContact CG1-CG1 4.3Å; V4-I16 HydrophobicContact CG2-CD1 4.05Å; V4-W118 HydrophobicContact CG1-CH2 4.25Å; V4-W118 HydrophobicContact CG1-CZ2 3.49Å; V4-W118 VanDerWaalsContact CG1-CZ2 3.49Å
5N49.5Very low47.4Very low70 Ų7070.8 Ų70.837%0.37433%0.334SS..Hα-helixtrans-69.1-34.7177.4-72.5-13.5000112.4M1 H2 I3 I8 D9M1-N5 PolarHBondContact O-N 2.85Å; H2-N5 PolarHBondContact O-N 2.98Å; I3-N5 VanDerWaalsContact C-N 3.34Å; N5-I8 PolarHBondContact O-N 2.98Å; N5-D9 PolarHBondContact O-N 2.93Å
6E49.2Very low47.8Very low94 Ų9467.7 Ų67.744%0.43932%0.32SS..Hα-helixtrans-64.4-41.1170.1-77.6-171.314800112H2 I8 D9 E10 C76H2-E6 PolarHBondContact O-N 3.45Å; E6-I8 VanDerWaalsContact C-N 3.29Å; E6-I8 PolarHBondContact O-N 3.36Å; E6-D9 PolarHBondContact O-N 3.02Å; E6-E10 PolarHBondContact O-N 3.09Å; E6-E10 VanDerWaalsContact O-N 3.08Å; E6-C76 PolarHBondContact OE2-SG 3.23Å
7I50.1Low48.1Very low2 Ų263.9 Ų63.91%0.0130%0.302CS..Hα-helixtrans-64.3-35.7173.6-64.5165.2000110.9I3 V4 D11 V51 V74 Y83I3-I7 HydrophobicContact CG2-CD1 4.03Å; I3-I7 WeakPolarHBondContact O-CD1 3.36Å; I3-I7 VanDerWaalsContact O-CG1 3.3Å; I3-I7 WeakPolarHBondContact O-CG1 3.45Å; I3-I7 PolarHBondContact O-N 3.03Å; V4-I7 CarbonylContact O-C 3.39Å; V4-I7 PolarHBondContact O-N 2.67Å; I7-D11 WeakPolarHBondContact O-CB 3.33Å; I7-D11 PolarHBondContact O-N 3.46Å; I7-V51 HydrophobicContact CG2-CG1 4.24Å; I7-V51 HydrophobicContact CG2-CG2 4.08Å; I7-V74 HydrophobicContact CD1-CG1 4.09Å; I7-V74 HydrophobicContact CG1-CG1 4.22Å; I7-Y83 HydrophobicContact CD1-CD1 3.75Å; I7-Y83 HydrophobicContact CD1-CD2 4.28Å; I7-Y83 HydrophobicContact CD1-CE1 4.22Å; I7-Y83 HydrophobicContact CD1-CG 3.78Å; I7-Y83 HydrophobicContact CG1-CD1 4.05Å; I7-Y83 HydrophobicContact CG1-CD2 4.43Å; I7-Y83 HydrophobicContact CG1-CE1 3.99Å; I7-Y83 HydrophobicContact CG1-CE2 4.37Å; I7-Y83 HydrophobicContact CG1-CG 4.27Å; I7-Y83 HydrophobicContact CG2-CD2 3.74Å; I7-Y83 HydrophobicContact CG2-CE2 3.62Å; I7-Y83 HydrophobicContact CG2-CG 4.34Å
8I51.5Low47.8Very low33 Ų3362.1 Ų62.117%0.16930%0.297CS..Hα-helixtrans-71.7-35.8177.4-70.6173.6000111.8V4 N5 E6 R12 A13 W118V4-I8 HydrophobicContact CG1-CD1 3.79Å; V4-I8 HydrophobicContact CG1-CG1 4.19Å; V4-I8 WeakPolarHBondContact O-CB 3.45Å; V4-I8 WeakPolarHBondContact O-CG1 3.46Å; V4-I8 PolarHBondContact O-N 2.78Å; N5-I8 PolarHBondContact O-N 2.98Å; E6-I8 VanDerWaalsContact C-N 3.29Å; E6-I8 PolarHBondContact O-N 3.36Å; I8-R12 WeakPolarHBondContact O-CA 3.49Å; I8-R12 PolarHBondContact O-N 3.48Å; I8-A13 WeakPolarHBondContact CD1-O 3.3Å; I8-A13 HydrophobicContact CG1-CB 4.13Å; I8-A13 VanDerWaalsContact CG1-O 3.27Å; I8-A13 WeakPolarHBondContact CG1-O 3.1Å; I8-W118 HydrophobicContact CD1-CH2 3.92Å; I8-W118 HydrophobicContact CD1-CZ2 3.58Å
9D47.9Very low47.9Very low119 Ų11960.4 Ų60.464%0.63629%0.289SS*.Hα-helixtrans-72.6-33.4177.1-92.9-19.3000112.4N5 E6N5-D9 PolarHBondContact O-N 2.93Å; E6-D9 PolarHBondContact O-N 3.02Å
10E46.5Very low47.9Very low149 Ų14960.3 Ų60.370%0.69629%0.292SS*.Hα-helixtrans-78.8-43173.7-74.3-162.8151.200113.3E6E6-E10 PolarHBondContact O-N 3.09Å; E6-E10 VanDerWaalsContact O-N 3.08Å
11D47.9Very low47.6Very low37 Ų3758.9 Ų58.920%0.19829%0.293CS..Hα-helixtrans-117.50.4-167.7-92.2-7.3000115.2I7 A13 K72 T85I7-D11 WeakPolarHBondContact O-CB 3.33Å; I7-D11 PolarHBondContact O-N 3.46Å; D11-A13 PolarHBondContact O-N 3.42Å; D11-K72 IonicContact OD1-NZ 3Å; D11-K72 PolarHBondContact OD1-NZ 3.21Å; D11-K72 IonicContact OD2-NZ 2.72Å; D11-K72 PolarHBondContact OD2-NZ 2.86Å; D11-T85 HydrophobicContact CB-CG2 4.31Å; D11-T85 PolarHBondContact OD2-OG1 2.85Å
12R47.3Very low47.7Very low160 Ų16060.5 Ų60.560%0.60430%0.298SS*.  trans59.937.2173.7-53.6-179.9179.8176.31.7115.9I8I8-R12 WeakPolarHBondContact O-CA 3.49Å; I8-R12 PolarHBondContact O-N 3.48Å
13A45.7Very low47.6Very low4 Ų461.1 Ų61.13%0.03330%0.302CS..EExtended strand (participates in β ladder)trans-78.3145-179.100000113.8I8 D11 V51I8-A13 WeakPolarHBondContact CD1-O 3.3Å; I8-A13 HydrophobicContact CG1-CB 4.13Å; I8-A13 VanDerWaalsContact CG1-O 3.27Å; I8-A13 WeakPolarHBondContact CG1-O 3.1Å; D11-A13 PolarHBondContact O-N 3.42Å; A13-V51 HydrophobicContact CB-CB 4.14Å; A13-V51 HydrophobicContact CB-CG2 3.21Å
14K47.8Very low46.9Very low101 Ų10162.5 Ų62.544%0.43931%0.312SS..EExtended strand (participates in β ladder)trans-115.9-6.9176.2-70.7-173-164.9153.60114.5D48 F49K14-D48 WeakPolarHBondContact CD-OD1 3.3Å; K14-D48 IonicContact NZ-OD1 2.93Å; K14-D48 PolarHBondContact NZ-OD1 2.92Å; K14-F49 PolarHBondContact N-O 3.48Å
15Y52Low45.7Very low21 Ų2165.6 Ų65.68%0.08234%0.339CS..EExtended strand (participates in β ladder)trans-139.8141.2-170.5-62.7-82.5000112.1D48 Y50 V51 L108 F109 R110Y15-D48 HydrophobicContact CE2-CB 4.23Å; Y15-Y50 HydrophobicContact CD1-CE1 4.36Å; Y15-Y50 AromaticContact CD2-CD1 3.87Å; Y15-Y50 HydrophobicContact CD2-CD1 3.87Å; Y15-Y50 AromaticContact CD2-CE1 3.62Å; Y15-Y50 HydrophobicContact CD2-CE1 3.62Å; Y15-Y50 HydrophobicContact CD2-CG 4.48Å; Y15-Y50 HydrophobicContact CE2-CE1 4.25Å; Y15-Y50 AromaticContact CG-CD1 3.75Å; Y15-Y50 HydrophobicContact CG-CD1 3.75Å; Y15-Y50 AromaticContact CG-CE1 3.7Å; Y15-Y50 HydrophobicContact CG-CE1 3.7Å; Y15-V51 PolarHBondContact O-N 3.13Å; Y15-L108 HydrophobicContact CD1-CD1 4.24Å; Y15-L108 HydrophobicContact CD1-CD2 3.79Å; Y15-L108 HydrophobicContact CD1-CG 3.99Å; Y15-L108 HydrophobicContact CE1-CD2 4.21Å; Y15-L108 HydrophobicContact CG-CD1 4.39Å; Y15-F109 VanDerWaalsContact CA-O 3.28Å; Y15-F109 WeakPolarHBondContact CA-O 3.31Å; Y15-R110 HydrophobicContact CD1-CB 4.12Å; Y15-R110 HydrophobicContact CD1-CG 4.45Å; Y15-R110 HydrophobicContact CE1-CB 3.99Å; Y15-R110 HydrophobicContact CE1-CG 4Å; Y15-R110 PolarHBondContact OH-NE 2.88Å; Y15-R110 PolarHBondContact OH-NH2 3.35Å
16I54.1Low44.5Very low21 Ų2169.6 Ų69.611%0.10836%0.36CS..EExtended strand (participates in β ladder)trans-112.9134.1170.5-59.7170.5000109.9V4 V51 F109 W118V4-I16 HydrophobicContact CG1-CD1 3.87Å; V4-I16 HydrophobicContact CG1-CG1 4.3Å; V4-I16 HydrophobicContact CG2-CD1 4.05Å; I16-V51 CarbonylContact C-O 3.51Å; I16-V51 VanDerWaalsContact CA-O 3.25Å; I16-V51 WeakPolarHBondContact CA-O 3.29Å; I16-F109 HydrophobicContact CB-CB 4.39Å; I16-F109 PolarHBondContact N-O 3.03Å; I16-F109 PolarHBondContact O-N 3.38Å; I16-W118 HydrophobicContact CB-CE3 4.48Å; I16-W118 HydrophobicContact CB-CZ3 4.26Å; I16-W118 HydrophobicContact CD1-CD2 3.73Å; I16-W118 HydrophobicContact CD1-CE3 3.85Å; I16-W118 HydrophobicContact CD1-CG 4.44Å; I16-W118 HydrophobicContact CD1-CH2 3.87Å; I16-W118 HydrophobicContact CD1-CZ2 3.75Å; I16-W118 HydrophobicContact CD1-CZ3 3.92Å; I16-W118 HydrophobicContact CG1-CD2 4.37Å; I16-W118 HydrophobicContact CG1-CE3 4Å; I16-W118 HydrophobicContact CG1-CH2 3.63Å; I16-W118 HydrophobicContact CG1-CZ2 4.03Å; I16-W118 HydrophobicContact CG1-CZ3 3.62Å
17V53Low43.4Very low4 Ų470.6 Ų70.62%0.02437%0.372CS..EExtended strand (participates in β ladder)trans-100.3122.9172.7-1690000109.7V51 F91 V106 L108V17-V51 PolarHBondContact N-O 3.4Å; V17-F91 HydrophobicContact CG2-CD2 3.9Å; V17-F91 HydrophobicContact CG2-CE2 3.61Å; V17-V106 HydrophobicContact CG1-CG1 3.66Å; V17-L108 HydrophobicContact CG2-CD1 4.12Å
18S41.9Very low42.2Very low30 Ų3078.4 Ų78.421%0.2141%0.414CS..EExtended strand (participates in β ladder)trans-112.4132.8169.2-168.30000110.6E107S18-E107 PolarHBondContact N-O 2.96Å; S18-E107 PolarHBondContact O-N 2.77Å
19E49.5Very low40.9Very low31 Ų3179.5 Ų79.515%0.14543%0.434CS..EExtended strand (participates in β ladder)trans-93.9141.5171-168.3-167.4120.200109.8N56 Y59 Y104E19-N56 PolarHBondContact N-ND2 3.01Å; E19-Y59 WeakPolarHBondContact OE2-CD1 3.4Å; E19-Y104 HydrophobicContact CG-CD2 3.74Å; E19-Y104 HydrophobicContact CG-CE2 4.42Å; E19-Y104 HydrophobicContact CG-CG 4.28Å; E19-Y104 WeakPolarHBondContact OE1-CD2 2.94Å; E19-Y104 WeakPolarHBondContact OE1-CE2 3.45Å
20V47.6Very low40Very low57 Ų5779.5 Ų79.535%0.34544%0.438SS..EExtended strand (participates in β ladder)trans-127.3123.5166.8-170.90000107R105V20-R105 PolarHBondContact N-O 3.4Å; V20-R105 PolarHBondContact O-N 3Å
21G41.3Very low39Very low31 Ų3180.1 Ų80.132%0.3245%0.446SS..  trans-61.6-175-169.100000116.1E23G21-E23 VanDerWaalsContact C-N 3.29Å; G21-E23 PolarHBondContact O-N 2.87Å
22K42.6Very low37.8Very low111 Ų11188.2 Ų88.248%0.48348%0.479SS..SBendtrans-64.5-22.2-173-79.1172.7-179.9-172.90115.7H102 Y104K22-H102 WeakPolarHBondContact CE-O 3.31Å; K22-H102 PolarHBondContact NZ-O 2.96Å; K22-Y104 HydrophobicContact CD-CD1 4.45Å; K22-Y104 HydrophobicContact CD-CE1 3.97Å; K22-Y104 HydrophobicContact CG-CD1 3.82Å; K22-Y104 HydrophobicContact CG-CE1 3.68Å
23E37.8Very low36.7Very low151 Ų15183.6 Ų83.671%0.70648%0.482SS*.  trans-112.3124-174.1-68-175.6167.800111.7G21G21-E23 VanDerWaalsContact C-N 3.29Å; G21-E23 PolarHBondContact O-N 2.87Å
24T29.9Very low35.7Very low73 Ų7388.7 Ų88.745%0.44850%0.503SS..  trans-100.882.2159.831.50000109.6R105T24-R105 PolarHBondContact OG1-NH1 3.24Å
25A26.6Very low34.6Very low78 Ų7892.7 Ų92.765%0.64552%0.524SS*.SBendtrans-126.1107.5157.200000108
26N25.3Very low33.2Very low155 Ų15599.7 Ų99.783%0.82955%0.55SS*.  trans58.369.9168.7-71.5-26.2000118.3
27V25.8Very low31.7Very low114 Ų114108.5 Ų108.569%0.69158%0.583SS**  trans-11872.6152-167.70000109.6G29 V30V27-G29 PolarHBondContact O-N 3.24Å; V27-V30 HydrophobicContact CG1-CG2 4.07Å
28N23.4Very low30.3Very low166 Ų166115.8 Ų115.889%0.88862%0.617SS**THydrogen-bonded Turntrans-67.875.3152.8-75.9-26.6000107.5
29G24.8Very low29.4Very low56 Ų56121 Ų12158%0.57764%0.643SS**THydrogen-bonded Turntrans-156.1-18.7-171.800000117.3V27V27-G29 PolarHBondContact O-N 3.24Å
30V28.4Very low28.3Very low120 Ų120124.6 Ų124.673%0.72767%0.67SS**SBendtrans-102.58.7-176-163.90000112.7V27V27-V30 HydrophobicContact CG1-CG2 4.07Å
31D25.7Very low27.2Very low162 Ų162128.7 Ų128.787%0.86669%0.69SS**  trans-95.612.1-174.4-99.2-20.2000115.1
32K23.3Very low26.3Very low207 Ų207134.2 Ų134.290%0.971%0.712SS**SBendtrans-127.5101.8-176-70.8-172.5178.3-179.20113.2
33G23.8Very low25.4Very low63 Ų63140.6 Ų140.665%0.64973%0.733SS**  trans128.870.9150.300000116.4
34F25.4Very low24.6Very low111 Ų111140.3 Ų140.349%0.48774%0.741SS.*  trans-120.199.9160.1-70.4-89.2000110.4M1 W118M1-F34 VanDerWaalsContact CE-CA 3.42Å; M1-F34 HydrophobicContact CE-CB 3.78Å; M1-F34 HydrophobicContact CE-CD1 3.5Å; M1-F34 HydrophobicContact CE-CG 4.04Å; M1-F34 HydrophobicContact CG-CD1 4.19Å; M1-F34 HydrophobicContact CG-CE1 4.37Å; M1-F34 HydrophobicContact SD-CD1 3.69Å; M1-F34 HydrophobicContact SD-CE1 4.26Å; F34-W118 HydrophobicContact CD1-CB 3.89Å; F34-W118 HydrophobicContact CD1-CG 4.38Å; F34-W118 HydrophobicContact CE1-CB 3.88Å; F34-W118 HydrophobicContact CE1-CG 4.22Å
35E24Very low24.5Very low185 Ų185140.9 Ų140.986%0.86474%0.744SS**  trans-120.9148.8174.4-81-172.3164.800112.9M1M1-E35 WeakPolarHBondContact CE-O 3.33Å
36R22.3Very low24.6Very low168 Ų168144.2 Ų144.263%0.63475%0.751SS**  trans-63.5147.6-163.6-95.2172.5163.5173.9-6.9118.3T115R36-T115 VanDerWaalsContact CG-O 3.25Å; R36-T115 WeakPolarHBondContact CG-O 3.3Å; R36-T115 PolarHBondContact NE-O 3.01Å
37Y23.7Very low25.6Very low205 Ų205142.3 Ų142.380%0.80474%0.741SS**  trans-151.8141.6146.2-101.8-82.8000113
38E22.7Very low27.4Very low158 Ų158140 Ų14074%0.73873%0.725SS**  trans-94.2127.6-178-69.5175.2153.900112.6
39N24.6Very low29.6Very low140 Ų140135.1 Ų135.175%0.74970%0.696SS**  trans153110.9139.4-87.8-43.1000111.9
40C25.7Very low32.1Very low106 Ų106132.9 Ų132.972%0.71667%0.67SS**  trans-161.9114.1141-109.90000111.2
41N23.6Very low34.6Very low143 Ų143127.2 Ų127.277%0.76564%0.636SS**  trans-87.4138.6-176.3-90.6-43.9000112.2
42N22.3Very low37.1Very low147 Ų147119.5 Ų119.579%0.78660%0.595SS**  trans50.391.6147.2-69-23000118.8
43R23.4Very low39.8Very low245 Ų245111.7 Ų111.793%0.92556%0.564SS**  trans-162.6108.4145.6-104.8160.1-168.7-164.64.6110.8V45R43-V45 PolarHBondContact O-N 3.44Å
44V22.2Very low42.5Very low144 Ų144114 Ų11487%0.87356%0.558SS**  trans-79.6112.2176.1178.50000109
45V26.5Very low44.9Very low85 Ų85116.4 Ų116.452%0.51557%0.571SS.*  trans-138.5133.4164.8-175.80000107.8R43 D47R43-V45 PolarHBondContact O-N 3.44Å; V45-D47 PolarHBondContact O-N 3.41Å
46D30.5Very low47.4Very low148 Ų148109.1 Ų109.179%0.79154%0.538SS*.  trans-93.329.9-150.5-133.75.1000114.9
47D46.6Very low50.2Low115 Ų115101.1 Ų101.162%0.61551%0.508SS*.  trans-122.1111.4178.7-74-39.5000111V45 F49V45-D47 PolarHBondContact O-N 3.41Å; D47-F49 HydrophobicContact CB-CE2 4Å; D47-F49 WeakPolarHBondContact O-CD2 3.28Å; D47-F49 PolarHBondContact O-N 2.95Å
48D61.9Low53Low65 Ų6594.5 Ų94.535%0.34849%0.486SS..  trans-80.1114.9178.7-70.8-30.9000111.1K14 Y15K14-D48 WeakPolarHBondContact CD-OD1 3.3Å; K14-D48 IonicContact NZ-OD1 2.93Å; K14-D48 PolarHBondContact NZ-OD1 2.92Å; Y15-D48 HydrophobicContact CE2-CB 4.23Å
49F70.5Confident55.8Low65 Ų6589.7 Ų89.729%0.28546%0.461SS..EExtended strand (participates in β ladder)trans-99.7150.3172.2-67.6-87.7000112K14 D47 T85 N87K14-F49 PolarHBondContact N-O 3.48Å; D47-F49 HydrophobicContact CB-CE2 4Å; D47-F49 WeakPolarHBondContact O-CD2 3.28Å; D47-F49 PolarHBondContact O-N 2.95Å; F49-T85 HydrophobicContact CB-CG2 4.2Å; F49-T85 HydrophobicContact CD1-CG2 4.01Å; F49-T85 HydrophobicContact CG-CG2 4.4Å; F49-N87 HydrophobicContact CD1-CB 4.36Å; F49-N87 HydrophobicContact CE1-CB 4.17Å
50Y78.1Confident58.6Low8 Ų883 Ų833%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-119.2145.2-179.8-55.4-103.2000110Y15 T85 L86 K88 F91 L108 I135Y15-Y50 HydrophobicContact CD1-CE1 4.36Å; Y15-Y50 AromaticContact CD2-CD1 3.87Å; Y15-Y50 HydrophobicContact CD2-CD1 3.87Å; Y15-Y50 AromaticContact CD2-CE1 3.62Å; Y15-Y50 HydrophobicContact CD2-CE1 3.62Å; Y15-Y50 HydrophobicContact CD2-CG 4.48Å; Y15-Y50 HydrophobicContact CE2-CE1 4.25Å; Y15-Y50 AromaticContact CG-CD1 3.75Å; Y15-Y50 HydrophobicContact CG-CD1 3.75Å; Y15-Y50 AromaticContact CG-CE1 3.7Å; Y15-Y50 HydrophobicContact CG-CE1 3.7Å; Y50-T85 CarbonylContact O-C 3.55Å; Y50-T85 WeakPolarHBondContact O-CA 3.5Å; Y50-L86 PolarHBondContact N-O 2.91Å; Y50-L86 PolarHBondContact O-N 3.46Å; Y50-K88 HydrophobicContact CE2-CB 4.44Å; Y50-F91 HydrophobicContact CD1-CB 4.35Å; Y50-F91 HydrophobicContact CD1-CD1 4.07Å; Y50-F91 AromaticContact CD1-CD2 3.37Å; Y50-F91 HydrophobicContact CD1-CD2 3.37Å; Y50-F91 HydrophobicContact CD1-CE1 4.21Å; Y50-F91 AromaticContact CD1-CE2 3.52Å; Y50-F91 HydrophobicContact CD1-CE2 3.52Å; Y50-F91 AromaticContact CD1-CG 3.65Å; Y50-F91 HydrophobicContact CD1-CG 3.65Å; Y50-F91 AromaticContact CD1-CZ 3.92Å; Y50-F91 HydrophobicContact CD1-CZ 3.92Å; Y50-F91 HydrophobicContact CD2-CB 3.52Å; Y50-F91 HydrophobicContact CD2-CD1 4.28Å; Y50-F91 HydrophobicContact CD2-CD2 4.12Å; Y50-F91 AromaticContact CD2-CG 3.7Å; Y50-F91 HydrophobicContact CD2-CG 3.7Å; Y50-F91 AromaticContact CE1-CD1 3.78Å; Y50-F91 HydrophobicContact CE1-CD1 3.78Å; Y50-F91 AromaticContact CE1-CD2 3.93Å; Y50-F91 HydrophobicContact CE1-CD2 3.93Å; Y50-F91 AromaticContact CE1-CE1 3.76Å; Y50-F91 HydrophobicContact CE1-CE1 3.76Å; Y50-F91 AromaticContact CE1-CE2 3.89Å; Y50-F91 HydrophobicContact CE1-CE2 3.89Å; Y50-F91 AromaticContact CE1-CG 3.85Å; Y50-F91 HydrophobicContact CE1-CG 3.85Å; Y50-F91 AromaticContact CE1-CZ 3.77Å; Y50-F91 HydrophobicContact CE1-CZ 3.77Å; Y50-F91 HydrophobicContact CE2-CB 3.93Å; Y50-F91 HydrophobicContact CE2-CD1 4.02Å; Y50-F91 AromaticContact CE2-CG 3.92Å; Y50-F91 HydrophobicContact CE2-CG 3.92Å; Y50-F91 HydrophobicContact CG-CB 3.8Å; Y50-F91 HydrophobicContact CG-CD1 4.34Å; Y50-F91 AromaticContact CG-CD2 3.51Å; Y50-F91 HydrophobicContact CG-CD2 3.51Å; Y50-F91 HydrophobicContact CG-CE2 4.14Å; Y50-F91 AromaticContact CG-CG 3.6Å; Y50-F91 HydrophobicContact CG-CG 3.6Å; Y50-F91 AromaticContact CZ-CD1 3.76Å; Y50-F91 AromaticContact CZ-CG 3.99Å; Y50-L108 HydrophobicContact CD1-CD1 3.98Å; Y50-L108 HydrophobicContact CE1-CD1 4.27Å; Y50-L108 HydrophobicContact CE1-CD2 4.43Å; Y50-I135 HydrophobicContact CE1-CG2 4.33Å
51V79.2Confident61.4Low2 Ų278 Ų781%0.01239%0.392CS..EExtended strand (participates in β ladder)trans-125.8140.1-177.9168.40000111.4I7 A13 Y15 I16 V17 V53 V84 T85I7-V51 HydrophobicContact CG2-CG1 4.24Å; I7-V51 HydrophobicContact CG2-CG2 4.08Å; A13-V51 HydrophobicContact CB-CB 4.14Å; A13-V51 HydrophobicContact CB-CG2 3.21Å; Y15-V51 PolarHBondContact O-N 3.13Å; I16-V51 CarbonylContact C-O 3.51Å; I16-V51 VanDerWaalsContact CA-O 3.25Å; I16-V51 WeakPolarHBondContact CA-O 3.29Å; V17-V51 PolarHBondContact N-O 3.4Å; V51-V53 HydrophobicContact CG1-CG1 4.03Å; V51-V84 WeakPolarHBondContact CA-O 3.3Å; V51-T85 HydrophobicContact CG2-CG2 4.45Å
52C78.4Confident64.4Low0 Ų076.2 Ų76.20%038%0.377CS..EExtended strand (participates in β ladder)trans-117.3145169.1-520000108.4A57 I60 Y83 V84C52-A57 HydrophobicContact CB-CB 4.47Å; C52-A57 WeakPolarHBondContact O-CB 3.44Å; C52-I60 HydrophobicContact CB-CD1 3.85Å; C52-I60 WeakPolarHBondContact SG-CD1 3.25Å; C52-Y83 CarbonylContact O-C 3.56Å; C52-Y83 WeakPolarHBondContact O-CA 3.33Å; C52-Y83 WeakPolarHBondContact O-CB 3.2Å; C52-V84 PolarHBondContact N-O 3.35Å; C52-V84 PolarHBondContact O-N 3.23Å
53V80.2Confident67.2Low42 Ų4274 Ų7426%0.25536%0.362SS..EExtended strand (participates in β ladder)trans-123.6152.8-175.3-63.50000112.6V51 Q55 N56 A57 F82V51-V53 HydrophobicContact CG1-CG1 4.03Å; V53-Q55 PolarHBondContact O-N 2.85Å; V53-N56 WeakPolarHBondContact O-CB 3.4Å; V53-N56 PolarHBondContact O-N 3.01Å; V53-A57 PolarHBondContact O-N 3.43Å; V53-F82 CarbonylContact C-O 3.58Å
54E80.1Confident70Confident112 Ų11262.6 Ų62.652%0.52332%0.319SS..Hα-helixtrans50.3-122.4172.9-59.8-166.213400115.5N56 A57 L58 L81 F82E54-N56 PolarHBondContact O-N 3.09Å; E54-A57 WeakPolarHBondContact O-CB 3.45Å; E54-A57 PolarHBondContact O-N 3.37Å; E54-A57 VanDerWaalsContact O-N 3.1Å; E54-L58 PolarHBondContact O-N 2.62Å; E54-L81 HydrophobicContact CG-CD2 3.77Å; E54-L81 WeakPolarHBondContact OE1-CD2 3.37Å; E54-F82 PolarHBondContact N-O 2.84Å
55Q76.4Confident73Confident161 Ų16157.1 Ų57.175%0.75229%0.285SS*.Hα-helixtrans-60.5-36.8-176.7-70.4177-2.700111.3V53 L58 Y59V53-Q55 PolarHBondContact O-N 2.85Å; Q55-L58 PolarHBondContact O-N 3.29Å; Q55-Y59 WeakPolarHBondContact O-CB 3.31Å; Q55-Y59 PolarHBondContact O-N 3.11Å
56N77.5Confident75.9Confident33 Ų3361 Ų6118%0.17630%0.295CS..Hα-helixtrans-66.9-41.5175.7-61.1-15.2000110.7E19 V53 E54 L58 Y59 I60E19-N56 PolarHBondContact N-ND2 3.01Å; V53-N56 WeakPolarHBondContact O-CB 3.4Å; V53-N56 PolarHBondContact O-N 3.01Å; E54-N56 PolarHBondContact O-N 3.09Å; N56-L58 PolarHBondContact O-N 3.41Å; N56-Y59 PolarHBondContact O-N 3.38Å; N56-I60 VanDerWaalsContact O-CB 3.31Å; N56-I60 WeakPolarHBondContact O-CB 3.48Å; N56-I60 WeakPolarHBondContact O-CD1 3.42Å; N56-I60 VanDerWaalsContact O-CG1 3.24Å; N56-I60 WeakPolarHBondContact O-CG1 3.44Å; N56-I60 PolarHBondContact O-N 3.28Å
57A80.9Confident78.6Confident0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-62-43.3175.200000111.9C52 V53 E54 A61 L71 V84C52-A57 HydrophobicContact CB-CB 4.47Å; C52-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 3.43Å; E54-A57 WeakPolarHBondContact O-CB 3.45Å; E54-A57 PolarHBondContact O-N 3.37Å; E54-A57 VanDerWaalsContact O-N 3.1Å; A57-A61 WeakPolarHBondContact O-CB 3.35Å; A57-A61 PolarHBondContact O-N 3.36Å; A57-L71 HydrophobicContact CB-CD1 3.95Å; A57-V84 HydrophobicContact CB-CB 4.49Å; A57-V84 HydrophobicContact CB-CG2 4.05Å
58L82.4Confident80.5Confident65 Ų6554.7 Ų54.734%0.3427%0.268SS..Hα-helixtrans-65.1-43.4178-169.771.1000111.7E54 Q55 N56 K62 L71E54-L58 PolarHBondContact O-N 2.62Å; Q55-L58 PolarHBondContact O-N 3.29Å; N56-L58 PolarHBondContact O-N 3.41Å; L58-K62 HydrophobicContact CD1-CD 4.28Å; L58-K62 HydrophobicContact CG-CD 4.21Å; L58-K62 WeakPolarHBondContact O-CB 3.42Å; L58-K62 WeakPolarHBondContact O-CG 3.29Å; L58-K62 PolarHBondContact O-N 3.06Å; L58-L71 HydrophobicContact CD1-CD2 3.81Å
59Y80.3Confident81.6Confident57 Ų5756 Ų5622%0.22428%0.282CS..Hα-helixtrans-64-51.3177.6-173.5-99.9000111.3E19 Q55 N56 A61 K62 E63 V64 L98 H102 Y104E19-Y59 WeakPolarHBondContact OE2-CD1 3.4Å; Q55-Y59 WeakPolarHBondContact O-CB 3.31Å; Q55-Y59 PolarHBondContact O-N 3.11Å; N56-Y59 PolarHBondContact O-N 3.38Å; Y59-A61 VanDerWaalsContact C-N 3.33Å; Y59-A61 PolarHBondContact O-N 3.43Å; Y59-K62 PolarHBondContact O-N 2.93Å; Y59-E63 HydrophobicContact CD2-CB 4.32Å; Y59-E63 HydrophobicContact CD2-CG 3.74Å; Y59-E63 HydrophobicContact CE1-CB 4.29Å; Y59-E63 HydrophobicContact CE2-CB 4.06Å; Y59-E63 HydrophobicContact CE2-CG 3.55Å; Y59-E63 HydrophobicContact CG-CG 4.38Å; Y59-E63 WeakPolarHBondContact O-CB 3.47Å; Y59-E63 PolarHBondContact O-N 3.19Å; Y59-V64 HydrophobicContact CE1-CG2 4.46Å; Y59-L98 HydrophobicContact CD1-CD2 4.41Å; Y59-L98 HydrophobicContact CE1-CD2 4.05Å; Y59-H102 AromaticContact CZ-ND1 3.97Å; Y59-H102 PolarHBondContact OH-CE1 2.98Å; Y59-H102 PolarHBondContact OH-ND1 3.43Å; Y59-Y104 HydrophobicContact CE1-CD2 4.26Å; Y59-Y104 AromaticContact CE1-CE2 3.65Å; Y59-Y104 HydrophobicContact CE1-CE2 3.65Å; Y59-Y104 AromaticContact CZ-CE2 3.64Å; Y59-Y104 WeakPolarHBondContact OH-CE2 3.48Å
60I83.4Confident82.2Confident1 Ų156.3 Ų56.31%0.00528%0.283CS..Iπ-helixtrans-61.3-41.9178.8-69.8166.8000110.9C52 N56 V64 L65 V94C52-I60 HydrophobicContact CB-CD1 3.85Å; C52-I60 WeakPolarHBondContact SG-CD1 3.25Å; N56-I60 VanDerWaalsContact O-CB 3.31Å; N56-I60 WeakPolarHBondContact O-CB 3.48Å; N56-I60 WeakPolarHBondContact O-CD1 3.42Å; N56-I60 VanDerWaalsContact O-CG1 3.24Å; N56-I60 WeakPolarHBondContact O-CG1 3.44Å; N56-I60 PolarHBondContact O-N 3.28Å; I60-V64 HydrophobicContact CG2-CB 4.41Å; I60-V64 WeakPolarHBondContact O-CB 3.2Å; I60-V64 PolarHBondContact O-N 3.39Å; I60-L65 HydrophobicContact CG2-CD1 4.02Å; I60-L65 HydrophobicContact CG2-CG 4.08Å; I60-L65 WeakPolarHBondContact O-CB 3.14Å; I60-L65 PolarHBondContact O-N 2.93Å; I60-V94 HydrophobicContact CD1-CG1 3.98Å; I60-V94 HydrophobicContact CG1-CG1 4.1Å; I60-V94 HydrophobicContact CG2-CG1 3.95Å; I60-V94 HydrophobicContact CG2-CG2 3.96Å
61A85.4Confident82.5Confident0 Ų057.8 Ų57.80%029%0.291CS..Iπ-helixtrans-64.3-42.3177.800000112.5A57 Y59 K66 S67 L71 V84A57-A61 WeakPolarHBondContact O-CB 3.35Å; A57-A61 PolarHBondContact O-N 3.36Å; Y59-A61 VanDerWaalsContact C-N 3.33Å; Y59-A61 PolarHBondContact O-N 3.43Å; A61-K66 PolarHBondContact O-N 3.46Å; A61-S67 CarbonylContact O-C 3.58Å; A61-S67 VanDerWaalsContact O-C 3.25Å; A61-S67 PolarHBondContact O-N 2.92Å; A61-S67 VanDerWaalsContact O-O 3.12Å; A61-L71 HydrophobicContact CB-CB 4.36Å; A61-L71 HydrophobicContact CB-CD1 4.23Å; A61-V84 HydrophobicContact CB-CG2 4.11Å
62K85.8Confident82.8Confident106 Ų10661.6 Ų61.646%0.46131%0.308SS..Iπ-helixtrans-83.5-49.9-174.8-73.3-178.3176.91790113.9L58 Y59 K66 V68L58-K62 HydrophobicContact CD1-CD 4.28Å; L58-K62 HydrophobicContact CG-CD 4.21Å; L58-K62 WeakPolarHBondContact O-CB 3.42Å; L58-K62 WeakPolarHBondContact O-CG 3.29Å; L58-K62 PolarHBondContact O-N 3.06Å; Y59-K62 PolarHBondContact O-N 2.93Å; K62-K66 WeakPolarHBondContact O-CA 3.31Å; K62-V68 HydrophobicContact CG-CG1 3.94Å
63E82Confident83.1Confident101 Ų10167.9 Ų67.947%0.47234%0.335SS..Iπ-helixtrans-90.3-40.5-169.7-60-56.8134.200111.9Y59Y59-E63 HydrophobicContact CD2-CB 4.32Å; Y59-E63 HydrophobicContact CD2-CG 3.74Å; Y59-E63 HydrophobicContact CE1-CB 4.29Å; Y59-E63 HydrophobicContact CE2-CB 4.06Å; Y59-E63 HydrophobicContact CE2-CG 3.55Å; Y59-E63 HydrophobicContact CG-CG 4.38Å; Y59-E63 WeakPolarHBondContact O-CB 3.47Å; Y59-E63 PolarHBondContact O-N 3.19Å
64V81.2Confident83Confident4 Ų466.8 Ų66.82%0.02433%0.328CS..Iπ-helixtrans-90.4-62-174.5-177.40000111.1Y59 I60 K66 V94 E97 L98Y59-V64 HydrophobicContact CE1-CG2 4.46Å; I60-V64 HydrophobicContact CG2-CB 4.41Å; I60-V64 WeakPolarHBondContact O-CB 3.2Å; I60-V64 PolarHBondContact O-N 3.39Å; V64-K66 PolarHBondContact O-N 2.94Å; V64-V94 HydrophobicContact CG1-CB 4.27Å; V64-V94 HydrophobicContact CG1-CG1 4.3Å; V64-V94 HydrophobicContact CG1-CG2 3.91Å; V64-E97 HydrophobicContact CG1-CB 3.96Å; V64-E97 HydrophobicContact CG1-CG 4.06Å; V64-E97 WeakPolarHBondContact CG1-OE2 3.35Å; V64-L98 HydrophobicContact CG2-CD2 4.06Å
65L85.9Confident82.7Confident29 Ų2967.8 Ų67.815%0.15233%0.333CS..SBendtrans-77.1-9.2-179.5-62.1177.4000113.4I60 S67 F70 V84 L86 V94I60-L65 HydrophobicContact CG2-CD1 4.02Å; I60-L65 HydrophobicContact CG2-CG 4.08Å; I60-L65 WeakPolarHBondContact O-CB 3.14Å; I60-L65 PolarHBondContact O-N 2.93Å; L65-S67 PolarHBondContact O-N 3.49Å; L65-F70 HydrophobicContact CB-CD2 3.85Å; L65-F70 HydrophobicContact CB-CE2 4.07Å; L65-F70 HydrophobicContact CD1-CB 3.98Å; L65-F70 HydrophobicContact CD1-CD1 4.22Å; L65-F70 HydrophobicContact CD1-CD2 3.77Å; L65-F70 HydrophobicContact CD1-CE2 4.32Å; L65-F70 HydrophobicContact CD1-CG 3.72Å; L65-F70 HydrophobicContact CG-CD2 4.4Å; L65-V84 HydrophobicContact CD1-CG1 4.05Å; L65-L86 HydrophobicContact CD1-CD2 3.97Å; L65-V94 HydrophobicContact CD2-CG2 3.91Å; L65-V94 HydrophobicContact CG-CG2 4.33Å
66K87.5Confident82Confident166 Ų16660.9 Ų60.972%0.72230%0.302SS*.  trans50.230.8178.9-60.3179.7-175.8175.10113.6A61 K62 V64A61-K66 PolarHBondContact O-N 3.46Å; K62-K66 WeakPolarHBondContact O-CA 3.31Å; V64-K66 PolarHBondContact O-N 2.94Å
67S87.7Confident81.3Confident40 Ų4068.2 Ų68.228%0.2834%0.336SS..  trans-155.9117.6-179.1-171.40000112.1A61 L65 S69 F70A61-S67 CarbonylContact O-C 3.58Å; A61-S67 VanDerWaalsContact O-C 3.25Å; A61-S67 PolarHBondContact O-N 2.92Å; A61-S67 VanDerWaalsContact O-O 3.12Å; L65-S67 PolarHBondContact O-N 3.49Å; S67-S69 PolarHBondContact O-N 3.28Å; S67-S69 VanDerWaalsContact O-N 3.16Å; S67-S69 PolarHBondContact OG-N 3.48Å; S67-S69 PolarHBondContact OG-OG 3.25Å; S67-F70 WeakPolarHBondContact O-CD2 3.41Å; S67-F70 PolarHBondContact O-N 3.06Å
68V86Confident80.7Confident92 Ų9271.7 Ų71.756%0.55837%0.372SS*.G310 helixtrans-66.4-10.5171.8-69.10000113.6K62 F70 L71K62-V68 HydrophobicContact CG-CG1 3.94Å; V68-F70 PolarHBondContact O-N 2.87Å; V68-L71 VanDerWaalsContact O-CB 3.26Å; V68-L71 WeakPolarHBondContact O-CB 2.92Å; V68-L71 PolarHBondContact O-N 3.44Å; V68-L71 VanDerWaalsContact O-N 3.08Å
69S85.1Confident80.1Confident93 Ų9374.2 Ų74.265%0.6539%0.385SS*.G310 helixtrans-66.1-20.4178.567.60000114.1S67 L71S67-S69 PolarHBondContact O-N 3.28Å; S67-S69 VanDerWaalsContact O-N 3.16Å; S67-S69 PolarHBondContact OG-N 3.48Å; S67-S69 PolarHBondContact OG-OG 3.25Å; S69-L71 VanDerWaalsContact C-N 3.27Å
70F83.1Confident79.9Confident70 Ų7074.8 Ų74.831%0.30740%0.395SS..G310 helixtrans-76.8-16.6174.3-69-78000113.1L65 S67 V68 K72 V84L65-F70 HydrophobicContact CB-CD2 3.85Å; L65-F70 HydrophobicContact CB-CE2 4.07Å; L65-F70 HydrophobicContact CD1-CB 3.98Å; L65-F70 HydrophobicContact CD1-CD1 4.22Å; L65-F70 HydrophobicContact CD1-CD2 3.77Å; L65-F70 HydrophobicContact CD1-CE2 4.32Å; L65-F70 HydrophobicContact CD1-CG 3.72Å; L65-F70 HydrophobicContact CG-CD2 4.4Å; S67-F70 WeakPolarHBondContact O-CD2 3.41Å; S67-F70 PolarHBondContact O-N 3.06Å; V68-F70 PolarHBondContact O-N 2.87Å; F70-K72 PolarHBondContact O-N 3.41Å; F70-V84 HydrophobicContact CB-CG1 4.19Å; F70-V84 HydrophobicContact CB-CG2 4.4Å
71L84.8Confident79.5Confident39 Ų3975.9 Ų75.920%0.20440%0.401CS..  trans-77.5112.9-176.5-160.272.4000109.6A57 L58 A61 V68 S69 F82 V84A57-L71 HydrophobicContact CB-CD1 3.95Å; L58-L71 HydrophobicContact CD1-CD2 3.81Å; A61-L71 HydrophobicContact CB-CB 4.36Å; A61-L71 HydrophobicContact CB-CD1 4.23Å; V68-L71 VanDerWaalsContact O-CB 3.26Å; V68-L71 WeakPolarHBondContact O-CB 2.92Å; V68-L71 PolarHBondContact O-N 3.44Å; V68-L71 VanDerWaalsContact O-N 3.08Å; S69-L71 VanDerWaalsContact C-N 3.27Å; L71-F82 HydrophobicContact CD1-CB 3.88Å; L71-F82 HydrophobicContact CD2-CB 4.21Å; L71-F82 HydrophobicContact CD2-CD1 3.47Å; L71-F82 VanDerWaalsContact CD2-CD1 3.47Å; L71-F82 HydrophobicContact CD2-CE1 4.08Å; L71-F82 HydrophobicContact CD2-CG 4.02Å; L71-F82 HydrophobicContact CG-CB 4.05Å; L71-F82 HydrophobicContact CG-CD1 3.82Å; L71-F82 HydrophobicContact CG-CG 4.31Å; L71-V84 HydrophobicContact CD1-CG2 4Å
72K85.4Confident79.3Confident82 Ų8280.4 Ų80.436%0.35742%0.421SS..EExtended strand (participates in β ladder)trans-96.9156.1171.5-63.9-176.9-179.9-175.70109.3D11 F70 F82 Y83D11-K72 IonicContact OD1-NZ 3Å; D11-K72 PolarHBondContact OD1-NZ 3.21Å; D11-K72 IonicContact OD2-NZ 2.72Å; D11-K72 PolarHBondContact OD2-NZ 2.86Å; F70-K72 PolarHBondContact O-N 3.41Å; K72-F82 CarbonylContact O-C 3.57Å; K72-F82 VanDerWaalsContact O-CA 3.32Å; K72-F82 WeakPolarHBondContact O-CA 3.36Å; K72-Y83 HydrophobicContact CB-CD1 3.91Å; K72-Y83 HydrophobicContact CB-CD2 4.17Å; K72-Y83 HydrophobicContact CB-CE1 3.46Å; K72-Y83 VanDerWaalsContact CB-CE1 3.46Å; K72-Y83 HydrophobicContact CB-CE2 3.75Å; K72-Y83 HydrophobicContact CB-CG 4.24Å; K72-Y83 HydrophobicContact CD-CD2 4.5Å; K72-Y83 HydrophobicContact CD-CE2 3.58Å; K72-Y83 WeakPolarHBondContact CD-OH 3.5Å; K72-Y83 HydrophobicContact CG-CE2 4.24Å; K72-Y83 PolarHBondContact N-O 2.85Å; K72-Y83 PolarHBondContact O-N 3.45Å
73K84.1Confident79.1Confident133 Ų13375.7 Ų75.758%0.57840%0.4SS*.EExtended strand (participates in β ladder)trans-121.1140.5174.462.3169.7-170.4146.90109.9E75 T80 L81 F82K73-E75 IonicContact NZ-OE1 3.18Å; K73-E75 PolarHBondContact NZ-OE1 3.46Å; K73-T80 HydrophobicContact CB-CG2 4.1Å; K73-T80 HydrophobicContact CD-CG2 4.38Å; K73-L81 CarbonylContact C-O 3.5Å; K73-L81 VanDerWaalsContact CA-O 3.28Å; K73-L81 WeakPolarHBondContact CA-O 3.25Å; K73-F82 HydrophobicContact CB-CD1 4.32Å; K73-F82 HydrophobicContact CB-CE1 4.37Å
74V78.1Confident79.2Confident18 Ų1870.9 Ų70.911%0.10938%0.378CS..EExtended strand (participates in β ladder)trans-124.5135168.868.70000108I3 I7 L81 Y83I3-V74 HydrophobicContact CG2-CG1 4.02Å; I7-V74 HydrophobicContact CD1-CG1 4.09Å; I7-V74 HydrophobicContact CG1-CG1 4.22Å; V74-L81 HydrophobicContact CG1-CB 3.98Å; V74-L81 PolarHBondContact N-O 2.84Å; V74-L81 PolarHBondContact O-N 3.09Å; V74-Y83 HydrophobicContact CB-CD1 4.5Å; V74-Y83 HydrophobicContact CB-CE1 4.1Å; V74-Y83 HydrophobicContact CG1-CD1 4.35Å; V74-Y83 HydrophobicContact CG1-CE1 4.42Å
75E74.4Confident79.2Confident133 Ų13371.8 Ų71.862%0.62138%0.383SS*.EExtended strand (participates in β ladder)trans-99.1115.1176.1-71.9173.7-161.100107.3K73K73-E75 IonicContact NZ-OE1 3.18Å; K73-E75 PolarHBondContact NZ-OE1 3.46Å
76C61.4Low79Confident16 Ų1670.4 Ų70.411%0.10838%0.376CS..EExtended strand (participates in β ladder)trans-131.5123.4-178.5-154.70000108.7I3 E6 G78 D79I3-C76 HydrophobicContact CG1-CB 3.73Å; E6-C76 PolarHBondContact OE2-SG 3.23Å; C76-G78 PolarHBondContact O-N 2.88Å; C76-D79 PolarHBondContact N-O 3.2Å; C76-D79 PolarHBondContact O-N 2.95Å
77E62.9Low78.7Confident187 Ų18765.3 Ų65.387%0.87436%0.356SS*.THydrogen-bonded Turntrans51.825.4177.9-59.7-171.3159.800116.1
78G68.9Low78.3Confident74 Ų7468.6 Ų68.676%0.76337%0.366SS*.THydrogen-bonded Turntrans96.7-9.3-179.900000114.7C76C76-G78 PolarHBondContact O-N 2.88Å
79D69.5Low77.9Confident117 Ų11770.6 Ų70.663%0.62637%0.373SS*.EExtended strand (participates in β ladder)trans-98.1137.2174.3-71.8-31.5000111C76C76-D79 PolarHBondContact N-O 3.2Å; C76-D79 PolarHBondContact O-N 2.95Å
80T75.8Confident77.9Confident70 Ų7068.6 Ų68.643%0.42935%0.353SS..EExtended strand (participates in β ladder)trans-95.4119.2175.7-54.80000109.6K73 F82K73-T80 HydrophobicContact CB-CG2 4.1Å; K73-T80 HydrophobicContact CD-CG2 4.38Å; T80-F82 HydrophobicContact CG2-CZ 4.47Å
81L74.7Confident77.9Confident24 Ų2465.2 Ų65.213%0.12634%0.338CS..EExtended strand (participates in β ladder)trans-111.7136.8-179.2-67.5166.4000110.7I3 E54 K73 V74I3-L81 HydrophobicContact CB-CD1 4Å; I3-L81 HydrophobicContact CD1-CD1 3.27Å; I3-L81 HydrophobicContact CG1-CD1 3.46Å; I3-L81 VanDerWaalsContact CG1-CD1 3.46Å; I3-L81 HydrophobicContact CG2-CB 4.45Å; I3-L81 HydrophobicContact CG2-CD1 3.39Å; E54-L81 HydrophobicContact CG-CD2 3.77Å; E54-L81 WeakPolarHBondContact OE1-CD2 3.37Å; K73-L81 CarbonylContact C-O 3.5Å; K73-L81 VanDerWaalsContact CA-O 3.28Å; K73-L81 WeakPolarHBondContact CA-O 3.25Å; V74-L81 HydrophobicContact CG1-CB 3.98Å; V74-L81 PolarHBondContact N-O 2.84Å; V74-L81 PolarHBondContact O-N 3.09Å
82F81.4Confident77.7Confident94 Ų9464.4 Ų64.441%0.41233%0.333SS..EExtended strand (participates in β ladder)trans-98139.1178.1-63.3-79.9000110.5V53 E54 L71 K72 K73 T80V53-F82 CarbonylContact C-O 3.58Å; E54-F82 PolarHBondContact N-O 2.84Å; L71-F82 HydrophobicContact CD1-CB 3.88Å; L71-F82 HydrophobicContact CD2-CB 4.21Å; L71-F82 HydrophobicContact CD2-CD1 3.47Å; L71-F82 VanDerWaalsContact CD2-CD1 3.47Å; L71-F82 HydrophobicContact CD2-CE1 4.08Å; L71-F82 HydrophobicContact CD2-CG 4.02Å; L71-F82 HydrophobicContact CG-CB 4.05Å; L71-F82 HydrophobicContact CG-CD1 3.82Å; L71-F82 HydrophobicContact CG-CG 4.31Å; K72-F82 CarbonylContact O-C 3.57Å; K72-F82 VanDerWaalsContact O-CA 3.32Å; K72-F82 WeakPolarHBondContact O-CA 3.36Å; K73-F82 HydrophobicContact CB-CD1 4.32Å; K73-F82 HydrophobicContact CB-CE1 4.37Å; T80-F82 HydrophobicContact CG2-CZ 4.47Å
83Y82.4Confident77.6Confident8 Ų865 Ų653%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-145.6160.9176.772.6-85000112.2I7 C52 K72 V74I7-Y83 HydrophobicContact CD1-CD1 3.75Å; I7-Y83 HydrophobicContact CD1-CD2 4.28Å; I7-Y83 HydrophobicContact CD1-CE1 4.22Å; I7-Y83 HydrophobicContact CD1-CG 3.78Å; I7-Y83 HydrophobicContact CG1-CD1 4.05Å; I7-Y83 HydrophobicContact CG1-CD2 4.43Å; I7-Y83 HydrophobicContact CG1-CE1 3.99Å; I7-Y83 HydrophobicContact CG1-CE2 4.37Å; I7-Y83 HydrophobicContact CG1-CG 4.27Å; I7-Y83 HydrophobicContact CG2-CD2 3.74Å; I7-Y83 HydrophobicContact CG2-CE2 3.62Å; I7-Y83 HydrophobicContact CG2-CG 4.34Å; C52-Y83 CarbonylContact O-C 3.56Å; C52-Y83 WeakPolarHBondContact O-CA 3.33Å; C52-Y83 WeakPolarHBondContact O-CB 3.2Å; K72-Y83 HydrophobicContact CB-CD1 3.91Å; K72-Y83 HydrophobicContact CB-CD2 4.17Å; K72-Y83 HydrophobicContact CB-CE1 3.46Å; K72-Y83 VanDerWaalsContact CB-CE1 3.46Å; K72-Y83 HydrophobicContact CB-CE2 3.75Å; K72-Y83 HydrophobicContact CB-CG 4.24Å; K72-Y83 HydrophobicContact CD-CD2 4.5Å; K72-Y83 HydrophobicContact CD-CE2 3.58Å; K72-Y83 WeakPolarHBondContact CD-OH 3.5Å; K72-Y83 HydrophobicContact CG-CE2 4.24Å; K72-Y83 PolarHBondContact N-O 2.85Å; K72-Y83 PolarHBondContact O-N 3.45Å; V74-Y83 HydrophobicContact CB-CD1 4.5Å; V74-Y83 HydrophobicContact CB-CE1 4.1Å; V74-Y83 HydrophobicContact CG1-CD1 4.35Å; V74-Y83 HydrophobicContact CG1-CE1 4.42Å
84V82.1Confident77.7Confident0 Ų058.8 Ų58.80%031%0.31CS..EExtended strand (participates in β ladder)trans-129.3131.1174.71720000108.8V51 C52 A57 A61 L65 F70 L71 L86V51-V84 WeakPolarHBondContact CA-O 3.3Å; C52-V84 PolarHBondContact N-O 3.35Å; C52-V84 PolarHBondContact O-N 3.23Å; A57-V84 HydrophobicContact CB-CB 4.49Å; A57-V84 HydrophobicContact CB-CG2 4.05Å; A61-V84 HydrophobicContact CB-CG2 4.11Å; L65-V84 HydrophobicContact CD1-CG1 4.05Å; F70-V84 HydrophobicContact CB-CG1 4.19Å; F70-V84 HydrophobicContact CB-CG2 4.4Å; L71-V84 HydrophobicContact CD1-CG2 4Å; V84-L86 HydrophobicContact CG1-CD2 3.59Å; V84-L86 HydrophobicContact CG1-CG 4.11Å
85T82.9Confident77.8Confident22 Ų2257.9 Ų57.914%0.13531%0.305CS..EExtended strand (participates in β ladder)trans-101.4126.9174.6-50.60000109.7D11 F49 Y50 V51D11-T85 HydrophobicContact CB-CG2 4.31Å; D11-T85 PolarHBondContact OD2-OG1 2.85Å; F49-T85 HydrophobicContact CB-CG2 4.2Å; F49-T85 HydrophobicContact CD1-CG2 4.01Å; F49-T85 HydrophobicContact CG-CG2 4.4Å; Y50-T85 CarbonylContact O-C 3.55Å; Y50-T85 WeakPolarHBondContact O-CA 3.5Å; V51-T85 HydrophobicContact CG2-CG2 4.45Å
86L80.7Confident78.1Confident0 Ų052.9 Ų52.90%028%0.281CS..EExtended strand (participates in β ladder)trans-117.9128.6-177.2-53.7173000109.5Y50 L65 V84 Q90 F91 V94Y50-L86 PolarHBondContact N-O 2.91Å; Y50-L86 PolarHBondContact O-N 3.46Å; L65-L86 HydrophobicContact CD1-CD2 3.97Å; V84-L86 HydrophobicContact CG1-CD2 3.59Å; V84-L86 HydrophobicContact CG1-CG 4.11Å; L86-Q90 HydrophobicContact CB-CB 4.03Å; L86-Q90 HydrophobicContact CD2-CB 4.04Å; L86-F91 HydrophobicContact CB-CB 4.25Å; L86-V94 HydrophobicContact CD1-CB 4.26Å; L86-V94 HydrophobicContact CD1-CG1 4.37Å; L86-V94 HydrophobicContact CD1-CG2 4.04Å; L86-V94 HydrophobicContact CD2-CG2 4.19Å
87N81.2Confident79.1Confident59 Ų5953.4 Ų53.432%0.31628%0.282SS..  trans-72.1170.8163.670.537.9000110.4F49 L89 Q90 F91F49-N87 HydrophobicContact CD1-CB 4.36Å; F49-N87 HydrophobicContact CE1-CB 4.17Å; N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 3.36Å; N87-L89 WeakPolarHBondContact OD1-CB 3.43Å; N87-L89 PolarHBondContact OD1-N 3.03Å; N87-Q90 VanDerWaalsContact CG-OE1 3.27Å; N87-Q90 PolarHBondContact ND2-OE1 3.45Å; N87-Q90 PolarHBondContact O-N 2.85Å; N87-Q90 VanDerWaalsContact O-N 3.14Å; N87-Q90 WeakPolarHBondContact OD1-CG 2.99Å; N87-Q90 PolarHBondContact OD1-N 2.82Å; N87-F91 WeakPolarHBondContact O-CB 3.49Å; N87-F91 PolarHBondContact O-N 3.38Å
88K78.9Confident80Confident109 Ų10944.6 Ų44.647%0.47424%0.241SC..Hα-helixtrans-53.3-43.6-178.6-174.3174.5-179.7175.50114Y50 F91 E92Y50-K88 HydrophobicContact CE2-CB 4.44Å; K88-F91 PolarHBondContact O-N 2.77Å; K88-E92 WeakPolarHBondContact CE-OE1 3.33Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.85Å
89L79.4Confident80.4Confident135 Ų13541.1 Ų41.171%0.70721%0.205SC*.Hα-helixtrans-66.3-41.7179.9-70168000111.8N87 H93N87-L89 VanDerWaalsContact C-N 3.32Å; N87-L89 PolarHBondContact O-N 3.36Å; N87-L89 WeakPolarHBondContact OD1-CB 3.43Å; N87-L89 PolarHBondContact OD1-N 3.03Å; L89-H93 PolarHBondContact O-N 3.3Å; L89-H93 VanDerWaalsContact O-N 3.09Å
90Q83.7Confident80.6Confident50 Ų5038.2 Ų38.223%0.23419%0.189CC..Hα-helixtrans-66.6-42.5176.8-70.5170.4-42.600111.4L86 N87 H93 V94L86-Q90 HydrophobicContact CB-CB 4.03Å; L86-Q90 HydrophobicContact CD2-CB 4.04Å; N87-Q90 VanDerWaalsContact CG-OE1 3.27Å; N87-Q90 PolarHBondContact ND2-OE1 3.45Å; N87-Q90 PolarHBondContact O-N 2.85Å; N87-Q90 VanDerWaalsContact O-N 3.14Å; N87-Q90 WeakPolarHBondContact OD1-CG 2.99Å; N87-Q90 PolarHBondContact OD1-N 2.82Å; Q90-H93 PolarHBondContact O-N 3.22Å; Q90-V94 WeakPolarHBondContact O-CB 3.39Å; Q90-V94 VanDerWaalsContact O-CG2 3.29Å; Q90-V94 WeakPolarHBondContact O-CG2 3.45Å; Q90-V94 PolarHBondContact O-N 2.96Å
91F83.3Confident80.6Confident0 Ų039.7 Ų39.70%020%0.197CC..Hα-helixtrans-59.3-48.5175.1169.5-96.8000111.4V17 Y50 L86 N87 K88 H93 V94 V95 L108 F132 I135 L136V17-F91 HydrophobicContact CG2-CD2 3.9Å; V17-F91 HydrophobicContact CG2-CE2 3.61Å; Y50-F91 HydrophobicContact CD1-CB 4.35Å; Y50-F91 HydrophobicContact CD1-CD1 4.07Å; Y50-F91 AromaticContact CD1-CD2 3.37Å; Y50-F91 HydrophobicContact CD1-CD2 3.37Å; Y50-F91 HydrophobicContact CD1-CE1 4.21Å; Y50-F91 AromaticContact CD1-CE2 3.52Å; Y50-F91 HydrophobicContact CD1-CE2 3.52Å; Y50-F91 AromaticContact CD1-CG 3.65Å; Y50-F91 HydrophobicContact CD1-CG 3.65Å; Y50-F91 AromaticContact CD1-CZ 3.92Å; Y50-F91 HydrophobicContact CD1-CZ 3.92Å; Y50-F91 HydrophobicContact CD2-CB 3.52Å; Y50-F91 HydrophobicContact CD2-CD1 4.28Å; Y50-F91 HydrophobicContact CD2-CD2 4.12Å; Y50-F91 AromaticContact CD2-CG 3.7Å; Y50-F91 HydrophobicContact CD2-CG 3.7Å; Y50-F91 AromaticContact CE1-CD1 3.78Å; Y50-F91 HydrophobicContact CE1-CD1 3.78Å; Y50-F91 AromaticContact CE1-CD2 3.93Å; Y50-F91 HydrophobicContact CE1-CD2 3.93Å; Y50-F91 AromaticContact CE1-CE1 3.76Å; Y50-F91 HydrophobicContact CE1-CE1 3.76Å; Y50-F91 AromaticContact CE1-CE2 3.89Å; Y50-F91 HydrophobicContact CE1-CE2 3.89Å; Y50-F91 AromaticContact CE1-CG 3.85Å; Y50-F91 HydrophobicContact CE1-CG 3.85Å; Y50-F91 AromaticContact CE1-CZ 3.77Å; Y50-F91 HydrophobicContact CE1-CZ 3.77Å; Y50-F91 HydrophobicContact CE2-CB 3.93Å; Y50-F91 HydrophobicContact CE2-CD1 4.02Å; Y50-F91 AromaticContact CE2-CG 3.92Å; Y50-F91 HydrophobicContact CE2-CG 3.92Å; Y50-F91 HydrophobicContact CG-CB 3.8Å; Y50-F91 HydrophobicContact CG-CD1 4.34Å; Y50-F91 AromaticContact CG-CD2 3.51Å; Y50-F91 HydrophobicContact CG-CD2 3.51Å; Y50-F91 HydrophobicContact CG-CE2 4.14Å; Y50-F91 AromaticContact CG-CG 3.6Å; Y50-F91 HydrophobicContact CG-CG 3.6Å; Y50-F91 AromaticContact CZ-CD1 3.76Å; Y50-F91 AromaticContact CZ-CG 3.99Å; L86-F91 HydrophobicContact CB-CB 4.25Å; N87-F91 WeakPolarHBondContact O-CB 3.49Å; N87-F91 PolarHBondContact O-N 3.38Å; K88-F91 PolarHBondContact O-N 2.77Å; F91-H93 VanDerWaalsContact C-N 3.27Å; F91-H93 PolarHBondContact O-N 2.58Å; F91-V94 PolarHBondContact O-N 3Å; F91-V95 HydrophobicContact CD1-CG2 4.43Å; F91-V95 HydrophobicContact CD2-CG2 3.93Å; F91-V95 HydrophobicContact CE1-CG2 4.03Å; F91-V95 HydrophobicContact CE2-CG2 3.51Å; F91-V95 HydrophobicContact CG-CG2 4.39Å; F91-V95 HydrophobicContact CZ-CG2 3.6Å; F91-V95 WeakPolarHBondContact O-CB 3.11Å; F91-V95 VanDerWaalsContact O-CG2 3.32Å; F91-V95 WeakPolarHBondContact O-CG2 3.45Å; F91-V95 PolarHBondContact O-N 2.99Å; F91-L108 HydrophobicContact CE2-CD1 3.83Å; F91-L108 HydrophobicContact CZ-CD1 3.98Å; F91-L108 HydrophobicContact CZ-CD2 4.38Å; F91-F132 HydrophobicContact CZ-CD1 4.37Å; F91-F132 AromaticContact CZ-CE1 3.86Å; F91-F132 HydrophobicContact CZ-CE1 3.86Å; F91-I135 HydrophobicContact CD1-CG2 4.28Å; F91-I135 HydrophobicContact CE1-CG2 3.47Å; F91-I135 VanDerWaalsContact CE1-CG2 3.47Å; F91-I135 HydrophobicContact CZ-CG2 4.17Å; F91-L136 HydrophobicContact CE1-CD2 4.21Å
92E81.7Confident80.5Confident21 Ų2140 Ų4010%0.09820%0.198CC..Hα-helixtrans-58.6-40.4177-73.9-175.2-169.800112K88 K96 L136 G137K88-E92 WeakPolarHBondContact CE-OE1 3.33Å; K88-E92 WeakPolarHBondContact O-CG 3.43Å; K88-E92 PolarHBondContact O-N 2.85Å; E92-K96 WeakPolarHBondContact O-CB 3.25Å; E92-K96 VanDerWaalsContact O-CG 3.23Å; E92-K96 WeakPolarHBondContact O-CG 3.48Å; E92-K96 PolarHBondContact O-N 2.83Å; E92-L136 HydrophobicContact CB-CD2 4.23Å; E92-L136 HydrophobicContact CG-CD2 3.9Å; E92-G137 VanDerWaalsContact CD-N 3.34Å; E92-G137 PolarHBondContact OE1-N 3.48Å
93H83.3Confident80.1Confident96 Ų9638.6 Ų38.644%0.44419%0.193SC..Hα-helixtrans-66-48.3176.6176.943.8000112.5L89 Q90 F91 V95 K96 E97L89-H93 PolarHBondContact O-N 3.3Å; L89-H93 VanDerWaalsContact O-N 3.09Å; Q90-H93 PolarHBondContact O-N 3.22Å; F91-H93 VanDerWaalsContact C-N 3.27Å; F91-H93 PolarHBondContact O-N 2.58Å; H93-V95 PolarHBondContact O-N 3.19Å; H93-K96 WeakPolarHBondContact O-CB 3.49Å; H93-K96 PolarHBondContact O-N 3.1Å; H93-E97 IonicContact CE1-OE2 3.46Å; H93-E97 PolarHBondContact CE1-OE2 3.33Å; H93-E97 VanDerWaalsContact CE1-OE2 3.3Å; H93-E97 IonicContact NE2-OE2 3.87Å; H93-E97 PolarHBondContact O-N 2.95Å
94V84.4Confident79.8Confident1 Ų140.2 Ų40.21%0.00620%0.199CC..Hα-helixtrans-60.7-47.3179.4168.60000110.8I60 V64 L65 L86 Q90 F91 K96 E97 L98I60-V94 HydrophobicContact CD1-CG1 3.98Å; I60-V94 HydrophobicContact CG1-CG1 4.1Å; I60-V94 HydrophobicContact CG2-CG1 3.95Å; I60-V94 HydrophobicContact CG2-CG2 3.96Å; V64-V94 HydrophobicContact CG1-CB 4.27Å; V64-V94 HydrophobicContact CG1-CG1 4.3Å; V64-V94 HydrophobicContact CG1-CG2 3.91Å; L65-V94 HydrophobicContact CD2-CG2 3.91Å; L65-V94 HydrophobicContact CG-CG2 4.33Å; L86-V94 HydrophobicContact CD1-CB 4.26Å; L86-V94 HydrophobicContact CD1-CG1 4.37Å; L86-V94 HydrophobicContact CD1-CG2 4.04Å; L86-V94 HydrophobicContact CD2-CG2 4.19Å; Q90-V94 WeakPolarHBondContact O-CB 3.39Å; Q90-V94 VanDerWaalsContact O-CG2 3.29Å; Q90-V94 WeakPolarHBondContact O-CG2 3.45Å; Q90-V94 PolarHBondContact O-N 2.96Å; F91-V94 PolarHBondContact O-N 3Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 2.79Å; V94-E97 PolarHBondContact O-N 2.84Å; V94-L98 HydrophobicContact CG1-CD1 3.81Å; V94-L98 HydrophobicContact CG1-CG 4.29Å; V94-L98 WeakPolarHBondContact O-CB 3.32Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.4Å
95V82.1Confident79.4Confident0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-62-41.5178.3172.40000111.2F91 H93 L99 V106 F132 L136F91-V95 HydrophobicContact CD1-CG2 4.43Å; F91-V95 HydrophobicContact CD2-CG2 3.93Å; F91-V95 HydrophobicContact CE1-CG2 4.03Å; F91-V95 HydrophobicContact CE2-CG2 3.51Å; F91-V95 HydrophobicContact CG-CG2 4.39Å; F91-V95 HydrophobicContact CZ-CG2 3.6Å; F91-V95 WeakPolarHBondContact O-CB 3.11Å; F91-V95 VanDerWaalsContact O-CG2 3.32Å; F91-V95 WeakPolarHBondContact O-CG2 3.45Å; F91-V95 PolarHBondContact O-N 2.99Å; H93-V95 PolarHBondContact O-N 3.19Å; V95-L99 HydrophobicContact CG1-CD1 3.51Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CB 3.45Å; V95-L99 WeakPolarHBondContact O-CD1 3.5Å; V95-L99 VanDerWaalsContact O-CG 3.22Å; V95-L99 WeakPolarHBondContact O-CG 3.39Å; V95-L99 PolarHBondContact O-N 2.83Å; V95-V106 HydrophobicContact CG2-CG1 4.31Å; V95-F132 HydrophobicContact CG1-CD1 3.98Å; V95-F132 HydrophobicContact CG1-CE1 4.04Å; V95-F132 HydrophobicContact CG2-CE1 4.23Å; V95-L136 HydrophobicContact CB-CD2 4.17Å; V95-L136 HydrophobicContact CG1-CD1 4.01Å; V95-L136 HydrophobicContact CG1-CD2 4.03Å
96K79.9Confident79.3Confident28 Ų2841 Ų4112%0.12220%0.2CC..Hα-helixtrans-59.3-47.2174.3-81.9178.1176.4-165.50111.9E92 H93 V94 L99 L100 N138 E141 I142E92-K96 WeakPolarHBondContact O-CB 3.25Å; E92-K96 VanDerWaalsContact O-CG 3.23Å; E92-K96 WeakPolarHBondContact O-CG 3.48Å; E92-K96 PolarHBondContact O-N 2.83Å; H93-K96 WeakPolarHBondContact O-CB 3.49Å; H93-K96 PolarHBondContact O-N 3.1Å; V94-K96 VanDerWaalsContact C-N 3.33Å; V94-K96 PolarHBondContact O-N 2.79Å; K96-L99 PolarHBondContact O-N 3.26Å; K96-L100 HydrophobicContact CB-CD1 4.34Å; K96-L100 WeakPolarHBondContact O-CB 3.41Å; K96-L100 WeakPolarHBondContact O-CG 3.41Å; K96-L100 PolarHBondContact O-N 2.81Å; K96-N138 PolarHBondContact NZ-O 3.46Å; K96-E141 IonicContact NZ-OE2 2.93Å; K96-E141 PolarHBondContact NZ-OE2 2.75Å; K96-I142 HydrophobicContact CD-CD1 4.47Å; K96-I142 HydrophobicContact CG-CD1 3.55Å; K96-I142 HydrophobicContact CG-CG1 3.88Å
97E81.6Confident79.2Confident27 Ų2743 Ų4313%0.12621%0.209CC..Hα-helixtrans-66.3-44.2-178.2-168.7157.7178.800111.7V64 H93 V94 L99 V101 H102V64-E97 HydrophobicContact CG1-CB 3.96Å; V64-E97 HydrophobicContact CG1-CG 4.06Å; V64-E97 WeakPolarHBondContact CG1-OE2 3.35Å; H93-E97 IonicContact CE1-OE2 3.46Å; H93-E97 PolarHBondContact CE1-OE2 3.33Å; H93-E97 VanDerWaalsContact CE1-OE2 3.3Å; H93-E97 IonicContact NE2-OE2 3.87Å; H93-E97 PolarHBondContact O-N 2.95Å; V94-E97 PolarHBondContact O-N 2.84Å; E97-L99 PolarHBondContact O-N 3.14Å; E97-V101 HydrophobicContact CG-CB 4.21Å; E97-V101 HydrophobicContact CG-CG2 4.16Å; E97-V101 WeakPolarHBondContact O-CA 3.47Å; E97-V101 VanDerWaalsContact O-CB 3.31Å; E97-V101 WeakPolarHBondContact O-CB 3.43Å; E97-V101 PolarHBondContact O-N 2.99Å; E97-H102 PolarHBondContact O-CD2 3.28Å; E97-H102 PolarHBondContact O-N 2.84Å; E97-H102 VanDerWaalsContact O-N 3.12Å
98L81.6Confident79.2Confident1 Ų140.2 Ų40.21%0.00519%0.194CC..Hα-helixtrans-58.8-44.9175.9-69.2173.7000112.1Y59 V64 V94 H102 Q103 Y104 V106Y59-L98 HydrophobicContact CD1-CD2 4.41Å; Y59-L98 HydrophobicContact CE1-CD2 4.05Å; V64-L98 HydrophobicContact CG2-CD2 4.06Å; V94-L98 HydrophobicContact CG1-CD1 3.81Å; V94-L98 HydrophobicContact CG1-CG 4.29Å; V94-L98 WeakPolarHBondContact O-CB 3.32Å; V94-L98 VanDerWaalsContact O-CG 3.28Å; V94-L98 WeakPolarHBondContact O-CG 3.45Å; V94-L98 PolarHBondContact O-N 3.4Å; L98-H102 CarbonylContact O-C 3.56Å; L98-Q103 PolarHBondContact O-N 3.4Å; L98-Y104 HydrophobicContact CD2-CD2 4.02Å; L98-Y104 PolarHBondContact O-N 3.4Å; L98-V106 HydrophobicContact CB-CG2 4.07Å; L98-V106 HydrophobicContact CD1-CG2 4.18Å
99L77.3Confident79.1Confident2 Ų236.7 Ų36.71%0.0118%0.179CC..Hα-helixtrans-76.4-41.3-177.9-66.8166.5000113V95 K96 E97 Y104 V106 A124 V129V95-L99 HydrophobicContact CG1-CD1 3.51Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 WeakPolarHBondContact O-CB 3.45Å; V95-L99 WeakPolarHBondContact O-CD1 3.5Å; V95-L99 VanDerWaalsContact O-CG 3.22Å; V95-L99 WeakPolarHBondContact O-CG 3.39Å; V95-L99 PolarHBondContact O-N 2.83Å; K96-L99 PolarHBondContact O-N 3.26Å; E97-L99 PolarHBondContact O-N 3.14Å; L99-Y104 WeakPolarHBondContact CD2-O 3.33Å; L99-V106 HydrophobicContact CD2-CG2 4.06Å; L99-V106 HydrophobicContact CG-CG2 4.12Å; L99-A124 HydrophobicContact CD1-CB 3.91Å; L99-A124 HydrophobicContact CD2-CB 3.83Å; L99-V129 HydrophobicContact CD1-CG1 3.74Å; L99-V129 HydrophobicContact CD2-CG1 4.41Å
100L75.3Confident79Confident56 Ų5635.7 Ų35.729%0.29317%0.166SC..Hα-helixtrans-90.4-39.2-170.4-62.9178.1000113.6K96 I142 R201K96-L100 HydrophobicContact CB-CD1 4.34Å; K96-L100 WeakPolarHBondContact O-CB 3.41Å; K96-L100 WeakPolarHBondContact O-CG 3.41Å; K96-L100 PolarHBondContact O-N 2.81Å; L100-I142 HydrophobicContact CD1-CG1 4.34Å; L100-I142 HydrophobicContact CD2-CG2 3.97Å; L100-I142 HydrophobicContact CG-CG2 4.49Å; L100-R201 VanDerWaalsContact CD2-CZ 3.5Å; L100-R201 VanDerWaalsContact CD2-NH2 3.32Å
101V75.2Confident78.4Confident100 Ų10035.3 Ų35.361%0.60617%0.165SC*.THydrogen-bonded Turntrans-98.2-53.4-174.3-178.50000109.9E97 Q103E97-V101 HydrophobicContact CG-CB 4.21Å; E97-V101 HydrophobicContact CG-CG2 4.16Å; E97-V101 WeakPolarHBondContact O-CA 3.47Å; E97-V101 VanDerWaalsContact O-CB 3.31Å; E97-V101 WeakPolarHBondContact O-CB 3.43Å; E97-V101 PolarHBondContact O-N 2.99Å; V101-Q103 VanDerWaalsContact C-N 3.35Å
102H73.4Confident77.8Confident31 Ų3136.1 Ų36.114%0.14417%0.171CC..SBendtrans-81.3-17.9-176.7-61.1-84.8000112.9K22 Y59 E97 L98 Y104K22-H102 WeakPolarHBondContact CE-O 3.31Å; K22-H102 PolarHBondContact NZ-O 2.96Å; Y59-H102 AromaticContact CZ-ND1 3.97Å; Y59-H102 PolarHBondContact OH-CE1 2.98Å; Y59-H102 PolarHBondContact OH-ND1 3.43Å; E97-H102 PolarHBondContact O-CD2 3.28Å; E97-H102 PolarHBondContact O-N 2.84Å; E97-H102 VanDerWaalsContact O-N 3.12Å; L98-H102 CarbonylContact O-C 3.56Å; H102-Y104 VanDerWaalsContact C-N 3.32Å; H102-Y104 HydrophobicContact CB-CD1 4.21Å; H102-Y104 HydrophobicContact CB-CD2 3.81Å; H102-Y104 HydrophobicContact CB-CE1 4.42Å; H102-Y104 HydrophobicContact CB-CE2 4.07Å; H102-Y104 HydrophobicContact CB-CG 3.94Å; H102-Y104 VanDerWaalsContact O-CD1 3.25Å; H102-Y104 WeakPolarHBondContact O-CD1 3.41Å
103Q71.7Confident77.2Confident64 Ų6442 Ų4230%0.29920%0.203SC..  trans56.643.1-176.2-58.3-176.3-8.700113L98 V101 P126 S224 P226L98-Q103 PolarHBondContact O-N 3.4Å; V101-Q103 VanDerWaalsContact C-N 3.35Å; Q103-P126 VanDerWaalsContact C-CG 3.4Å; Q103-P126 HydrophobicContact CB-CG 4.02Å; Q103-P126 WeakPolarHBondContact O-CG 3.43Å; Q103-S224 PolarHBondContact OE1-O 2.91Å; Q103-P226 HydrophobicContact CB-CG 4.17Å
104Y76.1Confident76.5Confident43 Ų4345.7 Ų45.717%0.16922%0.221CC..  trans-98.1163.5-179.6-70.5-10.7000112.7E19 K22 Y59 L98 L99 H102 P126E19-Y104 HydrophobicContact CG-CD2 3.74Å; E19-Y104 HydrophobicContact CG-CE2 4.42Å; E19-Y104 HydrophobicContact CG-CG 4.28Å; E19-Y104 WeakPolarHBondContact OE1-CD2 2.94Å; E19-Y104 WeakPolarHBondContact OE1-CE2 3.45Å; K22-Y104 HydrophobicContact CD-CD1 4.45Å; K22-Y104 HydrophobicContact CD-CE1 3.97Å; K22-Y104 HydrophobicContact CG-CD1 3.82Å; K22-Y104 HydrophobicContact CG-CE1 3.68Å; Y59-Y104 HydrophobicContact CE1-CD2 4.26Å; Y59-Y104 AromaticContact CE1-CE2 3.65Å; Y59-Y104 HydrophobicContact CE1-CE2 3.65Å; Y59-Y104 AromaticContact CZ-CE2 3.64Å; Y59-Y104 WeakPolarHBondContact OH-CE2 3.48Å; L98-Y104 HydrophobicContact CD2-CD2 4.02Å; L98-Y104 PolarHBondContact O-N 3.4Å; L99-Y104 WeakPolarHBondContact CD2-O 3.33Å; H102-Y104 VanDerWaalsContact C-N 3.32Å; H102-Y104 HydrophobicContact CB-CD1 4.21Å; H102-Y104 HydrophobicContact CB-CD2 3.81Å; H102-Y104 HydrophobicContact CB-CE1 4.42Å; H102-Y104 HydrophobicContact CB-CE2 4.07Å; H102-Y104 HydrophobicContact CB-CG 3.94Å; H102-Y104 VanDerWaalsContact O-CD1 3.25Å; H102-Y104 WeakPolarHBondContact O-CD1 3.41Å; Y104-P126 WeakPolarHBondContact O-CD 3.46Å
105R75Confident75.7Confident37 Ų3747.5 Ų47.514%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-93.3142.1171.7-55.7-171.8178.5135.85.7109.5V20 T24 A124 T125 E202 L227 T228V20-R105 PolarHBondContact N-O 3.4Å; V20-R105 PolarHBondContact O-N 3Å; T24-R105 PolarHBondContact OG1-NH1 3.24Å; R105-A124 CarbonylContact C-O 3.51Å; R105-A124 WeakPolarHBondContact CA-O 3.33Å; R105-T125 HydrophobicContact CB-CG2 4.36Å; R105-T125 HydrophobicContact CG-CG2 3.82Å; R105-E202 IonicContact NE-OE1 2.65Å; R105-L227 PolarHBondContact NH2-O 3.45Å; R105-T228 PolarHBondContact NH2-OG1 2.86Å
106V79.5Confident75.1Confident1 Ų150.6 Ų50.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-123.3128.7-177.9-174.40000109.2V17 V95 L98 L99 K123 A124 F132V17-V106 HydrophobicContact CG1-CG1 3.66Å; V95-V106 HydrophobicContact CG2-CG1 4.31Å; L98-V106 HydrophobicContact CB-CG2 4.07Å; L98-V106 HydrophobicContact CD1-CG2 4.18Å; L99-V106 HydrophobicContact CD2-CG2 4.06Å; L99-V106 HydrophobicContact CG-CG2 4.12Å; V106-K123 WeakPolarHBondContact O-CA 3.42Å; V106-A124 HydrophobicContact CB-CB 4.38Å; V106-A124 PolarHBondContact N-O 3.5Å; V106-A124 PolarHBondContact O-N 3.03Å; V106-F132 HydrophobicContact CB-CZ 4.22Å; V106-F132 HydrophobicContact CG1-CE1 4.08Å; V106-F132 HydrophobicContact CG1-CZ 3.77Å
107E79.2Confident74.4Confident42 Ų4250.4 Ų50.420%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-115.6130.5173-60.6-169.6159.100109.4S18 F109 L120 K123S18-E107 PolarHBondContact N-O 2.96Å; S18-E107 PolarHBondContact O-N 2.77Å; E107-F109 HydrophobicContact CB-CE2 3.76Å; E107-F109 HydrophobicContact CB-CZ 4.42Å; E107-L120 HydrophobicContact CB-CD1 3.82Å; E107-L120 HydrophobicContact CG-CD1 4.3Å; E107-K123 VanDerWaalsContact CD-CE 3.46Å; E107-K123 HydrophobicContact CG-CG 4.31Å; E107-K123 WeakPolarHBondContact OE1-CE 3.39Å; E107-K123 IonicContact OE1-NZ 2.76Å; E107-K123 PolarHBondContact OE1-NZ 3.28Å
108L80.8Confident73.8Confident0 Ų049.8 Ų49.80%025%0.245CC..EExtended strand (participates in β ladder)trans-109.2124.6176.2-170.471.4000109.9Y15 V17 Y50 F91 C121 C122 F132 I135Y15-L108 HydrophobicContact CD1-CD1 4.24Å; Y15-L108 HydrophobicContact CD1-CD2 3.79Å; Y15-L108 HydrophobicContact CD1-CG 3.99Å; Y15-L108 HydrophobicContact CE1-CD2 4.21Å; Y15-L108 HydrophobicContact CG-CD1 4.39Å; V17-L108 HydrophobicContact CG2-CD1 4.12Å; Y50-L108 HydrophobicContact CD1-CD1 3.98Å; Y50-L108 HydrophobicContact CE1-CD1 4.27Å; Y50-L108 HydrophobicContact CE1-CD2 4.43Å; F91-L108 HydrophobicContact CE2-CD1 3.83Å; F91-L108 HydrophobicContact CZ-CD1 3.98Å; F91-L108 HydrophobicContact CZ-CD2 4.38Å; L108-C121 WeakPolarHBondContact O-CA 3.38Å; L108-C121 WeakPolarHBondContact O-CB 3.37Å; L108-C121 PolarHBondContact O-N 3.02Å; L108-C122 WeakPolarHBondContact CB-SG 3.47Å; L108-C122 PolarHBondContact N-O 3.26Å; L108-C122 PolarHBondContact O-N 2.87Å; L108-F132 HydrophobicContact CB-CE1 4.42Å; L108-F132 HydrophobicContact CB-CE2 4.48Å; L108-F132 HydrophobicContact CB-CZ 3.84Å; L108-I135 HydrophobicContact CD2-CD1 3.27Å
109F76.4Confident73.5Confident36 Ų3653.9 Ų53.916%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-104.6139.6174.5-64.4-98.8000109.9Y15 I16 E107 W118 E119 L120Y15-F109 VanDerWaalsContact CA-O 3.28Å; Y15-F109 WeakPolarHBondContact CA-O 3.31Å; I16-F109 HydrophobicContact CB-CB 4.39Å; I16-F109 PolarHBondContact N-O 3.03Å; I16-F109 PolarHBondContact O-N 3.38Å; E107-F109 HydrophobicContact CB-CE2 3.76Å; E107-F109 HydrophobicContact CB-CZ 4.42Å; F109-W118 HydrophobicContact CB-CB 4.5Å; F109-W118 HydrophobicContact CB-CE3 3.88Å; F109-E119 CarbonylContact C-O 3.47Å; F109-E119 VanDerWaalsContact CA-O 3.31Å; F109-E119 WeakPolarHBondContact CA-O 3.49Å; F109-L120 HydrophobicContact CD1-CB 4.13Å; F109-L120 HydrophobicContact CE1-CB 3.85Å; F109-L120 HydrophobicContact CE1-CD1 4.12Å; F109-L120 HydrophobicContact CE2-CD1 4.13Å; F109-L120 HydrophobicContact CZ-CB 4.44Å; F109-L120 HydrophobicContact CZ-CD1 3.89Å
110R77.3Confident73.2Confident113 Ų11357.3 Ų57.343%0.42628%0.282SS..EExtended strand (participates in β ladder)trans-118.5140.8174.3178.7-173.2-76.31551.5108.8Y15 S112 E119 C121Y15-R110 HydrophobicContact CD1-CB 4.12Å; Y15-R110 HydrophobicContact CD1-CG 4.45Å; Y15-R110 HydrophobicContact CE1-CB 3.99Å; Y15-R110 HydrophobicContact CE1-CG 4Å; Y15-R110 PolarHBondContact OH-NE 2.88Å; Y15-R110 PolarHBondContact OH-NH2 3.35Å; R110-S112 PolarHBondContact O-N 3.09Å; R110-E119 PolarHBondContact N-O 3.11Å; R110-E119 PolarHBondContact O-N 2.91Å; R110-C121 HydrophobicContact CB-CB 3.98Å
111L72.6Confident73.2Confident43 Ų4357 Ų5723%0.22528%0.283CS..EExtended strand (participates in β ladder)trans-72.6116.7168.9-17366.5000109.7W118L111-W118 HydrophobicContact CB-CD2 4.5Å; L111-W118 HydrophobicContact CB-CE3 4.41Å; L111-W118 HydrophobicContact CB-CH2 4.25Å; L111-W118 HydrophobicContact CB-CZ2 4.32Å; L111-W118 HydrophobicContact CB-CZ3 4.29Å; L111-W118 HydrophobicContact CD1-CD2 4.5Å
112S69.2Low73.3Confident17 Ų1752.3 Ų52.312%0.11926%0.255CS..  trans-76127.8177.1169.10000110.7R110 E114 T115 Q116 S117 E119R110-S112 PolarHBondContact O-N 3.09Å; S112-E114 PolarHBondContact O-N 3.44Å; S112-E114 PolarHBondContact OG-N 3.07Å; S112-T115 WeakPolarHBondContact CB-OG1 3.47Å; S112-T115 PolarHBondContact OG-N 3.45Å; S112-T115 PolarHBondContact OG-OG1 3.32Å; S112-Q116 WeakPolarHBondContact O-CA 3.32Å; S112-Q116 PolarHBondContact O-N 3.06Å; S112-S117 PolarHBondContact N-O 3.04Å; S112-E119 WeakPolarHBondContact CB-OE1 3.41Å; S112-E119 PolarHBondContact OG-OE1 3.46Å; S112-E119 VanDerWaalsContact OG-OE1 3.1Å
113N70.4Confident73.6Confident145 Ų14555.1 Ų55.178%0.77527%0.267SS*.THydrogen-bonded Turntrans-61.7-30.4178.4-71.7-16.2000112Q116N113-Q116 PolarHBondContact O-NE2 3.16Å; N113-Q116 VanDerWaalsContact O-NE2 3.11Å
114E68.7Low73.9Confident173 Ų17352.1 Ų52.181%0.80825%0.253SS*.THydrogen-bonded Turntrans-83.3-43.6-175.1-63.2-176.1179.100112.6S112S112-E114 PolarHBondContact O-N 3.44Å; S112-E114 PolarHBondContact OG-N 3.07Å
115T67.6Low74.1Confident38 Ų3850.8 Ų50.823%0.23325%0.25CC..THydrogen-bonded Turntrans-94.2-16.7-174.959.20000112.7R36 S112 S117 E119R36-T115 VanDerWaalsContact CG-O 3.25Å; R36-T115 WeakPolarHBondContact CG-O 3.3Å; R36-T115 PolarHBondContact NE-O 3.01Å; S112-T115 WeakPolarHBondContact CB-OG1 3.47Å; S112-T115 PolarHBondContact OG-N 3.45Å; S112-T115 PolarHBondContact OG-OG1 3.32Å; T115-S117 WeakPolarHBondContact CB-OG 3.37Å; T115-S117 PolarHBondContact O-N 2.84Å; T115-S117 VanDerWaalsContact O-N 3.17Å; T115-S117 PolarHBondContact OG1-N 3.3Å; T115-S117 PolarHBondContact OG1-OG 2.79Å; T115-E119 PolarHBondContact OG1-OE1 3.32Å
116Q68.2Low74.2Confident65 Ų6549.1 Ų49.130%0.30424%0.244SC..  trans50.629.1-167.2-62.8-67-51.500111.7S112 N113S112-Q116 WeakPolarHBondContact O-CA 3.32Å; S112-Q116 PolarHBondContact O-N 3.06Å; N113-Q116 PolarHBondContact O-NE2 3.16Å; N113-Q116 VanDerWaalsContact O-NE2 3.11Å
117S66.9Low74.1Confident24 Ų2449.1 Ų49.117%0.16824%0.244CC..SBendtrans-118.5152.5175.367.40000110.3S112 T115 E119S112-S117 PolarHBondContact N-O 3.04Å; T115-S117 WeakPolarHBondContact CB-OG 3.37Å; T115-S117 PolarHBondContact O-N 2.84Å; T115-S117 VanDerWaalsContact O-N 3.17Å; T115-S117 PolarHBondContact OG1-N 3.3Å; T115-S117 PolarHBondContact OG1-OG 2.79Å; S117-E119 PolarHBondContact O-N 3.16Å
118W68.7Low74Confident15 Ų1547.9 Ų47.96%0.05724%0.238CC..EExtended strand (participates in β ladder)trans-73.6121.8173.8-69.989.1000109.4V4 I8 I16 F34 F109 L111V4-W118 HydrophobicContact CG1-CH2 4.25Å; V4-W118 HydrophobicContact CG1-CZ2 3.49Å; V4-W118 VanDerWaalsContact CG1-CZ2 3.49Å; I8-W118 HydrophobicContact CD1-CH2 3.92Å; I8-W118 HydrophobicContact CD1-CZ2 3.58Å; I16-W118 HydrophobicContact CB-CE3 4.48Å; I16-W118 HydrophobicContact CB-CZ3 4.26Å; I16-W118 HydrophobicContact CD1-CD2 3.73Å; I16-W118 HydrophobicContact CD1-CE3 3.85Å; I16-W118 HydrophobicContact CD1-CG 4.44Å; I16-W118 HydrophobicContact CD1-CH2 3.87Å; I16-W118 HydrophobicContact CD1-CZ2 3.75Å; I16-W118 HydrophobicContact CD1-CZ3 3.92Å; I16-W118 HydrophobicContact CG1-CD2 4.37Å; I16-W118 HydrophobicContact CG1-CE3 4Å; I16-W118 HydrophobicContact CG1-CH2 3.63Å; I16-W118 HydrophobicContact CG1-CZ2 4.03Å; I16-W118 HydrophobicContact CG1-CZ3 3.62Å; F34-W118 HydrophobicContact CD1-CB 3.89Å; F34-W118 HydrophobicContact CD1-CG 4.38Å; F34-W118 HydrophobicContact CE1-CB 3.88Å; F34-W118 HydrophobicContact CE1-CG 4.22Å; F109-W118 HydrophobicContact CB-CB 4.5Å; F109-W118 HydrophobicContact CB-CE3 3.88Å; L111-W118 HydrophobicContact CB-CD2 4.5Å; L111-W118 HydrophobicContact CB-CE3 4.41Å; L111-W118 HydrophobicContact CB-CH2 4.25Å; L111-W118 HydrophobicContact CB-CZ2 4.32Å; L111-W118 HydrophobicContact CB-CZ3 4.29Å; L111-W118 HydrophobicContact CD1-CD2 4.5Å
119E73.6Confident73.8Confident87 Ų8747.9 Ų47.941%0.40724%0.239SC..EExtended strand (participates in β ladder)trans-113.3137.3177.6-68.6172.3-163.300108.6F109 R110 S112 T115 S117 C121F109-E119 CarbonylContact C-O 3.47Å; F109-E119 VanDerWaalsContact CA-O 3.31Å; F109-E119 WeakPolarHBondContact CA-O 3.49Å; R110-E119 PolarHBondContact N-O 3.11Å; R110-E119 PolarHBondContact O-N 2.91Å; S112-E119 WeakPolarHBondContact CB-OE1 3.41Å; S112-E119 PolarHBondContact OG-OE1 3.46Å; S112-E119 VanDerWaalsContact OG-OE1 3.1Å; T115-E119 PolarHBondContact OG1-OE1 3.32Å; S117-E119 PolarHBondContact O-N 3.16Å; E119-C121 PolarHBondContact O-N 3.39Å; E119-C121 VanDerWaalsContact O-N 3.09Å
120L72.2Confident73.7Confident74 Ų7447.9 Ų47.939%0.38724%0.243SC..EExtended strand (participates in β ladder)trans-63.7111.7172.8175.571.6000108.7E107 F109 K123E107-L120 HydrophobicContact CB-CD1 3.82Å; E107-L120 HydrophobicContact CG-CD1 4.3Å; F109-L120 HydrophobicContact CD1-CB 4.13Å; F109-L120 HydrophobicContact CE1-CB 3.85Å; F109-L120 HydrophobicContact CE1-CD1 4.12Å; F109-L120 HydrophobicContact CE2-CD1 4.13Å; F109-L120 HydrophobicContact CZ-CB 4.44Å; F109-L120 HydrophobicContact CZ-CD1 3.89Å; L120-K123 HydrophobicContact CD1-CG 4.03Å; L120-K123 HydrophobicContact CD2-CD 3.76Å; L120-K123 HydrophobicContact CD2-CG 3.95Å; L120-K123 HydrophobicContact CG-CG 4.33Å
121C75.6Confident73.4Confident48 Ų4845.3 Ų45.332%0.32424%0.236SC..EExtended strand (participates in β ladder)trans-85.4-46-176.6-175.50000111.7L108 R110 E119L108-C121 WeakPolarHBondContact O-CA 3.38Å; L108-C121 WeakPolarHBondContact O-CB 3.37Å; L108-C121 PolarHBondContact O-N 3.02Å; R110-C121 HydrophobicContact CB-CB 3.98Å; E119-C121 PolarHBondContact O-N 3.39Å; E119-C121 VanDerWaalsContact O-N 3.09Å
122C75.7Confident73.5Confident3 Ų343.2 Ų43.22%0.0223%0.225CC..EExtended strand (participates in β ladder)trans-157157.2-179.6540000112.6L108 E131 F132 I135L108-C122 WeakPolarHBondContact CB-SG 3.47Å; L108-C122 PolarHBondContact N-O 3.26Å; L108-C122 PolarHBondContact O-N 2.87Å; C122-E131 WeakPolarHBondContact CA-OE2 3.44Å; C122-E131 HydrophobicContact CB-CB 3.56Å; C122-E131 WeakPolarHBondContact CB-O 3.44Å; C122-F132 HydrophobicContact CB-CD2 3.93Å; C122-F132 HydrophobicContact CB-CE2 3.91Å; C122-F132 WeakPolarHBondContact SG-CE2 3.19Å; C122-I135 WeakPolarHBondContact SG-CD1 3.32Å
123K81Confident73.4Confident89 Ų8943.8 Ų43.839%0.38723%0.226SC..EExtended strand (participates in β ladder)trans-122.6139.2176.5-64.8-175.9140.11710110.7V106 E107 L120 E131V106-K123 WeakPolarHBondContact O-CA 3.42Å; E107-K123 VanDerWaalsContact CD-CE 3.46Å; E107-K123 HydrophobicContact CG-CG 4.31Å; E107-K123 WeakPolarHBondContact OE1-CE 3.39Å; E107-K123 IonicContact OE1-NZ 2.76Å; E107-K123 PolarHBondContact OE1-NZ 3.28Å; L120-K123 HydrophobicContact CD1-CG 4.03Å; L120-K123 HydrophobicContact CD2-CD 3.76Å; L120-K123 HydrophobicContact CD2-CG 3.95Å; L120-K123 HydrophobicContact CG-CG 4.33Å; K123-E131 PolarHBondContact N-OE2 2.92Å
124A78.1Confident73.1Confident1 Ų142 Ų421%0.00823%0.225CC..EExtended strand (participates in β ladder)trans-129.2143170.600000110L99 R105 V106 N128 V129 F132L99-A124 HydrophobicContact CD1-CB 3.91Å; L99-A124 HydrophobicContact CD2-CB 3.83Å; R105-A124 CarbonylContact C-O 3.51Å; R105-A124 WeakPolarHBondContact CA-O 3.33Å; V106-A124 HydrophobicContact CB-CB 4.38Å; V106-A124 PolarHBondContact N-O 3.5Å; V106-A124 PolarHBondContact O-N 3.03Å; A124-N128 CarbonylContact C-O 3.56Å; A124-N128 WeakPolarHBondContact CA-O 3.41Å; A124-V129 HydrophobicContact CB-CG1 4.17Å; A124-F132 HydrophobicContact CB-CB 4.44Å; A124-F132 HydrophobicContact CB-CD1 4.42Å; A124-F132 HydrophobicContact CB-CD2 3.35Å; A124-F132 HydrophobicContact CB-CE2 3.52Å; A124-F132 HydrophobicContact CB-CG 3.84Å; A124-F132 HydrophobicContact CB-CZ 4.13Å
125T80.6Confident73.1Confident15 Ų1534.6 Ų34.69%0.09219%0.19CC..  trans-132.1161.4174.356.80000107.4R105 G127 N128 V129 E202 Y279R105-T125 HydrophobicContact CB-CG2 4.36Å; R105-T125 HydrophobicContact CG-CG2 3.82Å; T125-G127 PolarHBondContact O-N 2.84Å; T125-G127 VanDerWaalsContact O-N 3.09Å; T125-N128 PolarHBondContact N-O 3.34Å; T125-N128 CarbonylContact O-C 3.53Å; T125-N128 PolarHBondContact O-N 2.88Å; T125-N128 VanDerWaalsContact O-N 3.16Å; T125-N128 WeakPolarHBondContact OG1-CA 3.4Å; T125-N128 WeakPolarHBondContact OG1-CB 3.34Å; T125-N128 PolarHBondContact OG1-N 3.4Å; T125-N128 PolarHBondContact OG1-O 3.3Å; T125-N128 VanDerWaalsContact OG1-O 3.11Å; T125-V129 WeakPolarHBondContact O-CG1 3.27Å; T125-E202 WeakPolarHBondContact CB-OE2 3.31Å; T125-E202 PolarHBondContact OG1-OE2 3.24Å; T125-Y279 PolarHBondContact OG1-OH 2.92Å
126P76.9Confident73.1Confident3 Ų332.9 Ų32.92%0.01918%0.18CC..SBendtrans-56.5-29.3179.1-27.637.8000113.3Q103 Y104 N146 R201 P226Q103-P126 VanDerWaalsContact C-CG 3.4Å; Q103-P126 HydrophobicContact CB-CG 4.02Å; Q103-P126 WeakPolarHBondContact O-CG 3.43Å; Y104-P126 WeakPolarHBondContact O-CD 3.46Å; P126-N146 PolarHBondContact O-OD1 3.47Å; P126-R201 WeakPolarHBondContact O-CD 3.29Å; P126-P226 HydrophobicContact CG-CG 4.22Å
127G76Confident72.6Confident0 Ų032.4 Ų32.40%019%0.192CC..SBendtrans-90.4-30.2176.500000115T125 N146 V148 E202T125-G127 PolarHBondContact O-N 2.84Å; T125-G127 VanDerWaalsContact O-N 3.09Å; G127-N146 PolarHBondContact O-ND2 3.12Å; G127-V148 VanDerWaalsContact O-CG2 3.3Å; G127-V148 WeakPolarHBondContact O-CG2 3.48Å; G127-E202 WeakPolarHBondContact CA-OE2 3.43Å; G127-E202 PolarHBondContact N-OE2 3.27Å
128N78.5Confident72.3Confident16 Ų1635.5 Ų35.59%0.08621%0.207CC..  trans-129.5109.6-177.3-176.59.9000112.1A124 T125 S130 Y279 L280A124-N128 CarbonylContact C-O 3.56Å; A124-N128 WeakPolarHBondContact CA-O 3.41Å; T125-N128 PolarHBondContact N-O 3.34Å; T125-N128 CarbonylContact O-C 3.53Å; T125-N128 PolarHBondContact O-N 2.88Å; T125-N128 VanDerWaalsContact O-N 3.16Å; T125-N128 WeakPolarHBondContact OG1-CA 3.4Å; T125-N128 WeakPolarHBondContact OG1-CB 3.34Å; T125-N128 PolarHBondContact OG1-N 3.4Å; T125-N128 PolarHBondContact OG1-O 3.3Å; T125-N128 VanDerWaalsContact OG1-O 3.11Å; N128-S130 WeakPolarHBondContact OD1-CB 3.43Å; N128-S130 PolarHBondContact OD1-N 3.49Å; N128-S130 VanDerWaalsContact OD1-N 3.11Å; N128-S130 PolarHBondContact OD1-OG 2.75Å; N128-Y279 HydrophobicContact CB-CD1 4.2Å; N128-Y279 HydrophobicContact CB-CE1 3.56Å; N128-Y279 PolarHBondContact ND2-O 3.42Å; N128-L280 HydrophobicContact CB-CD2 3.73Å
129V76.3Confident71.7Confident1 Ų135.6 Ų35.61%0.00621%0.207CC..  trans-114.97.5178-66.40000112.8L99 A124 T125 E131 F132 E133 Y139 I142 E143L99-V129 HydrophobicContact CD1-CG1 3.74Å; L99-V129 HydrophobicContact CD2-CG1 4.41Å; A124-V129 HydrophobicContact CB-CG1 4.17Å; T125-V129 WeakPolarHBondContact O-CG1 3.27Å; V129-E131 VanDerWaalsContact C-N 3.26Å; V129-E131 PolarHBondContact O-N 2.85Å; V129-E131 VanDerWaalsContact O-N 3.13Å; V129-F132 WeakPolarHBondContact O-CA 3.3Å; V129-F132 WeakPolarHBondContact O-CB 3.32Å; V129-F132 PolarHBondContact O-N 3.45Å; V129-E133 PolarHBondContact O-N 2.85Å; V129-Y139 HydrophobicContact CB-CE2 3.89Å; V129-Y139 HydrophobicContact CG2-CD2 4.35Å; V129-Y139 HydrophobicContact CG2-CE2 3.42Å; V129-Y139 VanDerWaalsContact CG2-CE2 3.42Å; V129-Y139 VanDerWaalsContact O-CE2 3.27Å; V129-Y139 WeakPolarHBondContact O-CE2 3.32Å; V129-I142 HydrophobicContact CB-CG2 4.33Å; V129-I142 HydrophobicContact CG1-CG2 3.77Å; V129-I142 HydrophobicContact CG2-CB 4.43Å; V129-I142 HydrophobicContact CG2-CG2 3.93Å; V129-E143 HydrophobicContact CG2-CG 4.04Å
130S72.9Confident70.9Confident36 Ų3632.3 Ų32.325%0.25219%0.194SC..G310 helixtrans-52.4-40-172.356.30000113.8N128 F132 E133 Y139N128-S130 WeakPolarHBondContact OD1-CB 3.43Å; N128-S130 PolarHBondContact OD1-N 3.49Å; N128-S130 VanDerWaalsContact OD1-N 3.11Å; N128-S130 PolarHBondContact OD1-OG 2.75Å; S130-F132 PolarHBondContact O-N 2.69Å; S130-E133 WeakPolarHBondContact O-CB 3.31Å; S130-E133 PolarHBondContact O-N 3.04Å; S130-Y139 WeakPolarHBondContact CA-OH 3.31Å; S130-Y139 PolarHBondContact N-OH 3.27Å
131E72.7Confident70.2Confident58 Ų5833 Ų3327%0.27120%0.195SC..G310 helixtrans-72.2-18.1-179.2-52.7-173.7178.400113.6C122 K123 V129 K281C122-E131 WeakPolarHBondContact CA-OE2 3.44Å; C122-E131 HydrophobicContact CB-CB 3.56Å; C122-E131 WeakPolarHBondContact CB-O 3.44Å; K123-E131 PolarHBondContact N-OE2 2.92Å; V129-E131 VanDerWaalsContact C-N 3.26Å; V129-E131 PolarHBondContact O-N 2.85Å; V129-E131 VanDerWaalsContact O-N 3.13Å; E131-K281 IonicContact OE1-NZ 3.4Å; E131-K281 PolarHBondContact OE1-NZ 2.97Å
132F73.2Confident69.4Low0 Ų030.7 Ų30.70%018%0.18CC..G310 helixtrans-90.7-3.4176.2-86.8-113.5000112.8F91 V95 V106 L108 C122 A124 V129 S130 S134 I135 L136F91-F132 HydrophobicContact CZ-CD1 4.37Å; F91-F132 AromaticContact CZ-CE1 3.86Å; F91-F132 HydrophobicContact CZ-CE1 3.86Å; V95-F132 HydrophobicContact CG1-CD1 3.98Å; V95-F132 HydrophobicContact CG1-CE1 4.04Å; V95-F132 HydrophobicContact CG2-CE1 4.23Å; V106-F132 HydrophobicContact CB-CZ 4.22Å; V106-F132 HydrophobicContact CG1-CE1 4.08Å; V106-F132 HydrophobicContact CG1-CZ 3.77Å; L108-F132 HydrophobicContact CB-CE1 4.42Å; L108-F132 HydrophobicContact CB-CE2 4.48Å; L108-F132 HydrophobicContact CB-CZ 3.84Å; C122-F132 HydrophobicContact CB-CD2 3.93Å; C122-F132 HydrophobicContact CB-CE2 3.91Å; C122-F132 WeakPolarHBondContact SG-CE2 3.19Å; A124-F132 HydrophobicContact CB-CB 4.44Å; A124-F132 HydrophobicContact CB-CD1 4.42Å; A124-F132 HydrophobicContact CB-CD2 3.35Å; A124-F132 HydrophobicContact CB-CE2 3.52Å; A124-F132 HydrophobicContact CB-CG 3.84Å; A124-F132 HydrophobicContact CB-CZ 4.13Å; V129-F132 WeakPolarHBondContact O-CA 3.3Å; V129-F132 WeakPolarHBondContact O-CB 3.32Å; V129-F132 PolarHBondContact O-N 3.45Å; S130-F132 PolarHBondContact O-N 2.69Å; F132-S134 PolarHBondContact O-N 2.87Å; F132-I135 PolarHBondContact O-N 2.89Å; F132-L136 HydrophobicContact CB-CD1 3.77Å; F132-L136 HydrophobicContact CB-CG 4.1Å; F132-L136 HydrophobicContact CD1-CD1 4.22Å; F132-L136 HydrophobicContact CD1-CG 4.29Å; F132-L136 HydrophobicContact CG-CD1 4.46Å; F132-L136 PolarHBondContact O-N 2.9Å
133E68.1Low68.5Low28 Ų2831.2 Ų31.213%0.13118%0.182CC..THydrogen-bonded Turntrans-59.4-32.8-175.3-178.7177.7-136.700113.4V129 S130 I135 Y139 K361 R363V129-E133 PolarHBondContact O-N 2.85Å; S130-E133 WeakPolarHBondContact O-CB 3.31Å; S130-E133 PolarHBondContact O-N 3.04Å; E133-I135 VanDerWaalsContact C-N 3.3Å; E133-Y139 HydrophobicContact CB-CD1 4.12Å; E133-Y139 HydrophobicContact CB-CD2 3.85Å; E133-Y139 HydrophobicContact CB-CE1 3.87Å; E133-Y139 HydrophobicContact CB-CE2 3.65Å; E133-Y139 HydrophobicContact CB-CG 4.09Å; E133-Y139 HydrophobicContact CG-CD1 3.54Å; E133-Y139 HydrophobicContact CG-CD2 4.1Å; E133-Y139 HydrophobicContact CG-CE1 3.56Å; E133-Y139 HydrophobicContact CG-CE2 4.17Å; E133-Y139 HydrophobicContact CG-CG 3.8Å; E133-Y139 WeakPolarHBondContact OE1-CD1 3.44Å; E133-Y139 VanDerWaalsContact OE1-CE1 3.26Å; E133-Y139 WeakPolarHBondContact OE1-CE1 3.43Å; E133-K361 WeakPolarHBondContact OE1-CD 3.43Å; E133-K361 WeakPolarHBondContact OE1-CE 3.23Å; E133-K361 IonicContact OE1-NZ 3.6Å; E133-K361 PolarHBondContact OE1-NZ 3.31Å; E133-R363 VanDerWaalsContact CD-CZ 3.43Å; E133-R363 IonicContact OE1-CZ 2.87Å; E133-R363 IonicContact OE1-NH1 2.92Å; E133-R363 PolarHBondContact OE1-NH1 3.35Å; E133-R363 IonicContact OE1-NH2 2.67Å; E133-R363 PolarHBondContact OE1-NH2 3.11Å; E133-R363 IonicContact OE2-CZ 3.22Å; E133-R363 IonicContact OE2-NH1 2.77Å; E133-R363 IonicContact OE2-NH2 2.63Å; E133-R363 PolarHBondContact OE2-NH2 3.2Å
134S64.7Low67.3Low108 Ų10828.6 Ų28.676%0.75517%0.172SC*.THydrogen-bonded Turntrans-77.1-17.5176.658.70000113.6F132F132-S134 PolarHBondContact O-N 2.87Å
135I68.5Low66.3Low17 Ų1732 Ų329%0.08719%0.192CC..THydrogen-bonded Turntrans-100.4-40.3-171.9-47.3-173.2000110.5Y50 F91 L108 C122 F132 E133 G137Y50-I135 HydrophobicContact CE1-CG2 4.33Å; F91-I135 HydrophobicContact CD1-CG2 4.28Å; F91-I135 HydrophobicContact CE1-CG2 3.47Å; F91-I135 VanDerWaalsContact CE1-CG2 3.47Å; F91-I135 HydrophobicContact CZ-CG2 4.17Å; L108-I135 HydrophobicContact CD2-CD1 3.27Å; C122-I135 WeakPolarHBondContact SG-CD1 3.32Å; F132-I135 PolarHBondContact O-N 2.89Å; E133-I135 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 3.36Å
136L67.4Low65.8Low3 Ų331.4 Ų31.42%0.01619%0.189CC..  trans-85.2109-179.8-58.7176.5000110.3F91 E92 V95 F132 N138 Y139 I142F91-L136 HydrophobicContact CE1-CD2 4.21Å; E92-L136 HydrophobicContact CB-CD2 4.23Å; E92-L136 HydrophobicContact CG-CD2 3.9Å; V95-L136 HydrophobicContact CB-CD2 4.17Å; V95-L136 HydrophobicContact CG1-CD1 4.01Å; V95-L136 HydrophobicContact CG1-CD2 4.03Å; F132-L136 HydrophobicContact CB-CD1 3.77Å; F132-L136 HydrophobicContact CB-CG 4.1Å; F132-L136 HydrophobicContact CD1-CD1 4.22Å; F132-L136 HydrophobicContact CD1-CG 4.29Å; F132-L136 HydrophobicContact CG-CD1 4.46Å; F132-L136 PolarHBondContact O-N 2.9Å; L136-N138 VanDerWaalsContact C-N 3.31Å; L136-N138 PolarHBondContact O-N 2.85Å; L136-Y139 PolarHBondContact O-N 3.41Å; L136-I142 HydrophobicContact CD1-CD1 3.45Å; L136-I142 VanDerWaalsContact CD1-CD1 3.45Å
137G57.7Low66.1Low55 Ų5533.1 Ų33.157%0.56720%0.195SC*.THydrogen-bonded Turntrans-61.6-34.8-179.200000114.2E92 I135E92-G137 VanDerWaalsContact CD-N 3.34Å; E92-G137 PolarHBondContact OE1-N 3.48Å; I135-G137 PolarHBondContact O-N 3.36Å
138N59.4Low66.9Low89 Ų8933.1 Ų33.148%0.47620%0.195SC..THydrogen-bonded Turntrans-108.453.7177.1-78.1-12.4000111.8K96 L136 S140K96-N138 PolarHBondContact NZ-O 3.46Å; L136-N138 VanDerWaalsContact C-N 3.31Å; L136-N138 PolarHBondContact O-N 2.85Å; N138-S140 PolarHBondContact O-N 3.48Å
139Y57Low67.6Low16 Ų1632.4 Ų32.46%0.06319%0.191CC..THydrogen-bonded Turntrans-58.1-30.3-179.3-179.2-110.5000114.7V129 S130 E133 L136 E141 I142 E143V129-Y139 HydrophobicContact CB-CE2 3.89Å; V129-Y139 HydrophobicContact CG2-CD2 4.35Å; V129-Y139 HydrophobicContact CG2-CE2 3.42Å; V129-Y139 VanDerWaalsContact CG2-CE2 3.42Å; V129-Y139 VanDerWaalsContact O-CE2 3.27Å; V129-Y139 WeakPolarHBondContact O-CE2 3.32Å; S130-Y139 WeakPolarHBondContact CA-OH 3.31Å; S130-Y139 PolarHBondContact N-OH 3.27Å; E133-Y139 HydrophobicContact CB-CD1 4.12Å; E133-Y139 HydrophobicContact CB-CD2 3.85Å; E133-Y139 HydrophobicContact CB-CE1 3.87Å; E133-Y139 HydrophobicContact CB-CE2 3.65Å; E133-Y139 HydrophobicContact CB-CG 4.09Å; E133-Y139 HydrophobicContact CG-CD1 3.54Å; E133-Y139 HydrophobicContact CG-CD2 4.1Å; E133-Y139 HydrophobicContact CG-CE1 3.56Å; E133-Y139 HydrophobicContact CG-CE2 4.17Å; E133-Y139 HydrophobicContact CG-CG 3.8Å; E133-Y139 WeakPolarHBondContact OE1-CD1 3.44Å; E133-Y139 VanDerWaalsContact OE1-CE1 3.26Å; E133-Y139 WeakPolarHBondContact OE1-CE1 3.43Å; L136-Y139 PolarHBondContact O-N 3.41Å; Y139-E141 PolarHBondContact O-N 3Å; Y139-I142 PolarHBondContact O-N 3.45Å; Y139-I142 VanDerWaalsContact O-N 3.15Å; Y139-E143 HydrophobicContact CD1-CG 4.1Å; Y139-E143 HydrophobicContact CE1-CG 3.45Å; Y139-E143 VanDerWaalsContact CE1-CG 3.45Å; Y139-E143 WeakPolarHBondContact CE1-OE1 3.3Å; Y139-E143 VanDerWaalsContact CE1-OE2 3.23Å; Y139-E143 WeakPolarHBondContact CE1-OE2 3.24Å; Y139-E143 HydrophobicContact CE2-CG 4.23Å; Y139-E143 VanDerWaalsContact CZ-CG 3.48Å; Y139-E143 PolarHBondContact O-N 3Å; Y139-E143 VanDerWaalsContact OH-CD 3.24Å; Y139-E143 WeakPolarHBondContact OH-CG 3.36Å; Y139-E143 PolarHBondContact OH-OE1 3.02Å
140S56.9Low68.6Low18 Ų1832.3 Ų32.313%0.12619%0.191CC..Hα-helixtrans-61-41.5-173.547.60000113.5N138 I142 E143 D144 K354N138-S140 PolarHBondContact O-N 3.48Å; S140-I142 PolarHBondContact O-N 3.05Å; S140-I142 VanDerWaalsContact O-N 3.12Å; S140-E143 PolarHBondContact O-N 3.31Å; S140-D144 PolarHBondContact O-N 3.43Å; S140-D144 VanDerWaalsContact O-OD1 3.05Å; S140-K354 WeakPolarHBondContact OG-CE 3.42Å
141E57.2Low69.7Low89 Ų8930.6 Ų30.642%0.41618%0.179SC..Hα-helixtrans-58.8-28.1178.5-69.8173177.500113.6K96 Y139 D144 K354K96-E141 IonicContact NZ-OE2 2.93Å; K96-E141 PolarHBondContact NZ-OE2 2.75Å; Y139-E141 PolarHBondContact O-N 3Å; E141-D144 WeakPolarHBondContact CA-OD2 3.48Å; E141-K354 VanDerWaalsContact CG-NZ 3.32Å
142I58Low70.7Confident0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-82.1-40.1-177.2-52.8174.6000110.2K96 L100 V129 L136 Y139 S140 D144 N146 R201K96-I142 HydrophobicContact CD-CD1 4.47Å; K96-I142 HydrophobicContact CG-CD1 3.55Å; K96-I142 HydrophobicContact CG-CG1 3.88Å; L100-I142 HydrophobicContact CD1-CG1 4.34Å; L100-I142 HydrophobicContact CD2-CG2 3.97Å; L100-I142 HydrophobicContact CG-CG2 4.49Å; V129-I142 HydrophobicContact CB-CG2 4.33Å; V129-I142 HydrophobicContact CG1-CG2 3.77Å; V129-I142 HydrophobicContact CG2-CB 4.43Å; V129-I142 HydrophobicContact CG2-CG2 3.93Å; L136-I142 HydrophobicContact CD1-CD1 3.45Å; L136-I142 VanDerWaalsContact CD1-CD1 3.45Å; Y139-I142 PolarHBondContact O-N 3.45Å; Y139-I142 VanDerWaalsContact O-N 3.15Å; S140-I142 PolarHBondContact O-N 3.05Å; S140-I142 VanDerWaalsContact O-N 3.12Å; I142-D144 VanDerWaalsContact C-N 3.27Å; I142-D144 PolarHBondContact O-N 3.39Å; I142-N146 PolarHBondContact O-OD1 3.32Å; I142-N146 VanDerWaalsContact O-OD1 3.1Å; I142-R201 PolarHBondContact O-NH1 3.33Å
143E58.1Low71.6Confident13 Ų1330.3 Ų30.36%0.06118%0.177CC..Hα-helixtrans-73-17.4178-67.5-170.9134.800114V129 Y139 S140 V145 N146 K357 K361V129-E143 HydrophobicContact CG2-CG 4.04Å; Y139-E143 HydrophobicContact CD1-CG 4.1Å; Y139-E143 HydrophobicContact CE1-CG 3.45Å; Y139-E143 VanDerWaalsContact CE1-CG 3.45Å; Y139-E143 WeakPolarHBondContact CE1-OE1 3.3Å; Y139-E143 VanDerWaalsContact CE1-OE2 3.23Å; Y139-E143 WeakPolarHBondContact CE1-OE2 3.24Å; Y139-E143 HydrophobicContact CE2-CG 4.23Å; Y139-E143 VanDerWaalsContact CZ-CG 3.48Å; Y139-E143 PolarHBondContact O-N 3Å; Y139-E143 VanDerWaalsContact OH-CD 3.24Å; Y139-E143 WeakPolarHBondContact OH-CG 3.36Å; Y139-E143 PolarHBondContact OH-OE1 3.02Å; S140-E143 PolarHBondContact O-N 3.31Å; E143-V145 PolarHBondContact O-N 2.91Å; E143-N146 PolarHBondContact O-N 3.39Å; E143-K357 IonicContact OE1-NZ 3.6Å; E143-K357 WeakPolarHBondContact OE2-CE 3.47Å; E143-K357 IonicContact OE2-NZ 3.82Å; E143-K357 PolarHBondContact OE2-NZ 2.85Å; E143-K361 IonicContact OE1-NZ 3.3Å; E143-K361 PolarHBondContact OE1-NZ 3.08Å; E143-K361 VanDerWaalsContact OE1-NZ 3.15Å; E143-K361 IonicContact OE2-NZ 3.13Å; E143-K361 PolarHBondContact OE2-NZ 3.2Å
144D56.1Low72.6Confident35 Ų3531 Ų3119%0.18718%0.18CC..THydrogen-bonded Turntrans-57.4-16-171.2-75.4-22.4000113.5S140 E141 I142 K354S140-D144 PolarHBondContact O-N 3.43Å; S140-D144 VanDerWaalsContact O-OD1 3.05Å; E141-D144 WeakPolarHBondContact CA-OD2 3.48Å; I142-D144 VanDerWaalsContact C-N 3.27Å; I142-D144 PolarHBondContact O-N 3.39Å; D144-K354 IonicContact OD2-NZ 2.75Å
145V57Low73.5Confident71 Ų7128.4 Ų28.443%0.4316%0.159SC..THydrogen-bonded Turntrans-132.724.5175.4-152.70000113.4E143 R147 R201E143-V145 PolarHBondContact O-N 2.91Å; V145-R147 PolarHBondContact O-N 3.27Å; V145-R201 VanDerWaalsContact O-CD 3.31Å; V145-R201 WeakPolarHBondContact O-CD 3.29Å; V145-R201 WeakPolarHBondContact O-CG 3.42Å; V145-R201 PolarHBondContact O-NE 3.06Å
146N69Low73.7Confident3 Ų332.2 Ų32.22%0.01618%0.18CC..  trans-81.189.6-179.1-74.94.9000111.2P126 G127 I142 E143 L172 R201P126-N146 PolarHBondContact O-OD1 3.47Å; G127-N146 PolarHBondContact O-ND2 3.12Å; I142-N146 PolarHBondContact O-OD1 3.32Å; I142-N146 VanDerWaalsContact O-OD1 3.1Å; E143-N146 PolarHBondContact O-N 3.39Å; N146-L172 HydrophobicContact CB-CD1 4.14Å; N146-R201 VanDerWaalsContact OD1-CD 3.24Å; N146-R201 WeakPolarHBondContact OD1-CD 3.44Å; N146-R201 PolarHBondContact OD1-NH1 2.94Å
147R84.2Confident73.5Confident40 Ų4038.5 Ų38.515%0.15122%0.218CC..EExtended strand (participates in β ladder)trans-96.2120.9160-69.3179.1-175.1155.310.8108.7V145 C170 E171 I198 P200 R201V145-R147 PolarHBondContact O-N 3.27Å; R147-C170 WeakPolarHBondContact CA-O 3.15Å; R147-E171 HydrophobicContact CG-CB 4.39Å; R147-E171 HydrophobicContact CG-CG 4.17Å; R147-E171 IonicContact CZ-OE1 2.78Å; R147-E171 VanDerWaalsContact CZ-OE1 3.24Å; R147-E171 VanDerWaalsContact NE-CD 3.34Å; R147-E171 IonicContact NE-OE1 3.46Å; R147-E171 PolarHBondContact NE-OE1 3.37Å; R147-E171 IonicContact NE-OE2 3.38Å; R147-E171 IonicContact NH2-OE1 3.11Å; R147-E171 PolarHBondContact NH2-OE1 3.01Å; R147-E171 IonicContact NH2-OE2 3.67Å; R147-I198 WeakPolarHBondContact CD-O 3.27Å; R147-I198 PolarHBondContact NH1-O 2.9Å; R147-P200 CarbonylContact O-C 3.57Å; R147-P200 WeakPolarHBondContact O-CA 3.46Å; R147-P200 WeakPolarHBondContact O-CB 3.32Å; R147-R201 PolarHBondContact O-N 3Å
148V91.2Very high73.5Confident0 Ų038.4 Ų38.40%022%0.217CC..EExtended strand (participates in β ladder)trans-111.5129173.6178.20000108.2G127 C169 C170 I204 Y279 L280G127-V148 VanDerWaalsContact O-CG2 3.3Å; G127-V148 WeakPolarHBondContact O-CG2 3.48Å; V148-C169 WeakPolarHBondContact O-CA 3.18Å; V148-C170 PolarHBondContact N-O 2.9Å; V148-C170 VanDerWaalsContact N-O 3.17Å; V148-C170 PolarHBondContact O-N 3.37Å; V148-I204 HydrophobicContact CG1-CD1 3.41Å; V148-I204 VanDerWaalsContact CG1-CD1 3.41Å; V148-I204 HydrophobicContact CG1-CG1 4.08Å; V148-Y279 HydrophobicContact CG1-CD1 4.41Å; V148-L280 HydrophobicContact CB-CD1 4.42Å; V148-L280 HydrophobicContact CG2-CD1 4.49Å; V148-L280 HydrophobicContact CG2-CD2 4.13Å
149V94.3Very high72.7Confident0 Ų040.7 Ų40.70%024%0.24CC..EExtended strand (participates in β ladder)trans-109.2135.1177.71640000109.3L167 A168 C169 L195 I198 P200 E202 C203 I204V149-L167 HydrophobicContact CG1-CD1 3.83Å; V149-L167 HydrophobicContact CG1-CD2 4.1Å; V149-L167 HydrophobicContact CG1-CG 3.76Å; V149-A168 CarbonylContact C-O 3.53Å; V149-A168 VanDerWaalsContact CA-O 3.24Å; V149-A168 WeakPolarHBondContact CA-O 3.32Å; V149-C169 HydrophobicContact CG2-CB 3.87Å; V149-L195 HydrophobicContact CB-CD2 4.48Å; V149-L195 HydrophobicContact CG1-CD2 3.91Å; V149-I198 HydrophobicContact CG2-CB 4.49Å; V149-I198 HydrophobicContact CG2-CD1 4.22Å; V149-I198 HydrophobicContact CG2-CG2 3.67Å; V149-P200 HydrophobicContact CB-CB 3.93Å; V149-P200 HydrophobicContact CB-CG 4.05Å; V149-P200 HydrophobicContact CG2-CB 3.64Å; V149-P200 HydrophobicContact CG2-CG 3.84Å; V149-E202 PolarHBondContact N-O 3.31Å; V149-C203 CarbonylContact O-C 3.57Å; V149-C203 WeakPolarHBondContact O-CA 3.26Å; V149-I204 PolarHBondContact O-N 2.91Å
150A96.2Very high72.6Confident0 Ų044.9 Ų44.90%027%0.267CS..EExtended strand (participates in β ladder)trans-111.9137.8163.500000109.1L167 A168 I204 F235 C272 A275 I276A150-L167 CarbonylContact O-C 3.53Å; A150-L167 WeakPolarHBondContact O-CA 3.3Å; A150-A168 PolarHBondContact N-O 3.04Å; A150-A168 PolarHBondContact O-N 3.44Å; A150-I204 VanDerWaalsContact CA-O 3.25Å; A150-I204 WeakPolarHBondContact CA-O 3.33Å; A150-I204 HydrophobicContact CB-CB 4.3Å; A150-F235 HydrophobicContact CB-CE1 4.44Å; A150-F235 HydrophobicContact CB-CZ 4.31Å; A150-C272 HydrophobicContact CB-CB 3.95Å; A150-C272 WeakPolarHBondContact CB-O 3.41Å; A150-A275 HydrophobicContact CB-CB 4.22Å; A150-I276 HydrophobicContact CB-CD1 3.88Å; A150-I276 HydrophobicContact CB-CG1 3.49Å; A150-I276 VanDerWaalsContact CB-CG1 3.49Å
151F95.9Very high72.8Confident0 Ų047.3 Ų47.30%028%0.284CS..EExtended strand (participates in β ladder)trans-136.5151.5174.272.6-84.5000111.6I153 S166 L167 L191 C203 I204 T205 V216 F220 L227F151-I153 HydrophobicContact CD2-CD1 4.42Å; F151-I153 HydrophobicContact CD2-CG1 4.07Å; F151-I153 HydrophobicContact CE2-CD1 4.05Å; F151-I153 HydrophobicContact CE2-CG1 4.15Å; F151-S166 CarbonylContact C-O 3.56Å; F151-S166 WeakPolarHBondContact CA-O 3.35Å; F151-L167 HydrophobicContact CB-CB 4.43Å; F151-L167 HydrophobicContact CB-CD1 4.48Å; F151-L167 HydrophobicContact CB-CG 4.44Å; F151-L191 HydrophobicContact CB-CD1 4.34Å; F151-L191 HydrophobicContact CD2-CD1 4.39Å; F151-L191 HydrophobicContact CD2-CD2 3.95Å; F151-L191 HydrophobicContact CE2-CD2 3.93Å; F151-L191 HydrophobicContact CG-CD1 4.2Å; F151-L191 HydrophobicContact CZ-CD2 4.47Å; F151-C203 HydrophobicContact CD1-CB 4.49Å; F151-C203 HydrophobicContact CE1-CB 4.21Å; F151-I204 PolarHBondContact N-O 3.49Å; F151-T205 HydrophobicContact CE1-CG2 4.07Å; F151-T205 HydrophobicContact CE2-CG2 4.29Å; F151-T205 WeakPolarHBondContact CE2-OG1 3.48Å; F151-T205 VanDerWaalsContact CZ-CB 3.5Å; F151-T205 HydrophobicContact CZ-CG2 3.68Å; F151-T205 WeakPolarHBondContact O-CB 3.5Å; F151-T205 PolarHBondContact O-OG1 2.82Å; F151-V216 HydrophobicContact CE2-CG2 4.42Å; F151-V216 HydrophobicContact CZ-CG1 4.1Å; F151-F220 HydrophobicContact CD1-CZ 4.3Å; F151-F220 AromaticContact CE1-CE2 3.48Å; F151-F220 HydrophobicContact CE1-CE2 3.48Å; F151-F220 VanDerWaalsContact CE1-CE2 3.48Å; F151-F220 AromaticContact CE1-CZ 3.41Å; F151-F220 HydrophobicContact CE1-CZ 3.41Å; F151-F220 VanDerWaalsContact CE1-CZ 3.41Å; F151-F220 HydrophobicContact CZ-CD2 4.48Å; F151-F220 AromaticContact CZ-CE2 3.47Å; F151-F220 HydrophobicContact CZ-CE2 3.47Å; F151-F220 VanDerWaalsContact CZ-CE2 3.47Å; F151-F220 AromaticContact CZ-CZ 3.93Å; F151-F220 HydrophobicContact CZ-CZ 3.93Å; F151-L227 HydrophobicContact CE1-CD1 3.75Å; F151-L227 HydrophobicContact CZ-CD1 4.07Å
152K94.3Very high73.5Confident27 Ų2748.3 Ų48.312%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-136.3133.8177-173.8171.2172.3-174.80109.5F154 S166 L206 F235K152-F154 HydrophobicContact CB-CE2 3.92Å; K152-F154 HydrophobicContact CB-CZ 4.38Å; K152-F154 HydrophobicContact CD-CE1 4.04Å; K152-F154 HydrophobicContact CD-CE2 3.81Å; K152-F154 HydrophobicContact CD-CZ 3.39Å; K152-F154 VanDerWaalsContact CE-CE1 3.43Å; K152-F154 HydrophobicContact CG-CD2 4.27Å; K152-F154 HydrophobicContact CG-CE1 4.41Å; K152-F154 HydrophobicContact CG-CE2 3.61Å; K152-F154 HydrophobicContact CG-CZ 3.73Å; K152-S166 PolarHBondContact N-O 2.92Å; K152-S166 PolarHBondContact O-N 3.3Å; K152-L206 HydrophobicContact CD-CD1 3.87Å; K152-L206 HydrophobicContact CG-CD1 4.19Å; K152-F235 HydrophobicContact CB-CD1 4.45Å; K152-F235 HydrophobicContact CB-CE1 4.12Å; K152-F235 HydrophobicContact CD-CD1 4.18Å
153I92.6Very high74.8Confident25 Ų2548.6 Ų48.613%0.12829%0.291CS..EExtended strand (participates in β ladder)trans-104.8130-179.1-54.9179000108.5F151 I163 V165 L188 I212 V216F151-I153 HydrophobicContact CD2-CD1 4.42Å; F151-I153 HydrophobicContact CD2-CG1 4.07Å; F151-I153 HydrophobicContact CE2-CD1 4.05Å; F151-I153 HydrophobicContact CE2-CG1 4.15Å; I153-I163 HydrophobicContact CG2-CG2 3.69Å; I153-V165 HydrophobicContact CG1-CG2 4.32Å; I153-L188 HydrophobicContact CD1-CD1 3.65Å; I153-L188 HydrophobicContact CD1-CD2 4.07Å; I153-I212 HydrophobicContact CD1-CG2 3.87Å; I153-I212 HydrophobicContact CG2-CG2 4.22Å; I153-V216 HydrophobicContact CD1-CG2 3.47Å; I153-V216 VanDerWaalsContact CD1-CG2 3.47Å
154F88.6Confident76.3Confident42 Ų4250.4 Ų50.418%0.18430%0.298CS..EExtended strand (participates in β ladder)trans-119.1130.5175.9-58.6-98.1000108.6K152 K164 D268K152-F154 HydrophobicContact CB-CE2 3.92Å; K152-F154 HydrophobicContact CB-CZ 4.38Å; K152-F154 HydrophobicContact CD-CE1 4.04Å; K152-F154 HydrophobicContact CD-CE2 3.81Å; K152-F154 HydrophobicContact CD-CZ 3.39Å; K152-F154 VanDerWaalsContact CE-CE1 3.43Å; K152-F154 HydrophobicContact CG-CD2 4.27Å; K152-F154 HydrophobicContact CG-CE1 4.41Å; K152-F154 HydrophobicContact CG-CE2 3.61Å; K152-F154 HydrophobicContact CG-CZ 3.73Å; F154-K164 HydrophobicContact CB-CB 4.34Å; F154-K164 PolarHBondContact N-O 2.91Å; F154-K164 PolarHBondContact O-N 3.18Å; F154-D268 HydrophobicContact CE2-CB 3.67Å; F154-D268 HydrophobicContact CZ-CB 3.78Å; F154-D268 WeakPolarHBondContact CZ-OD1 3.41Å
155V84.4Confident78Confident53 Ų5348.7 Ų48.732%0.32129%0.289SS..EExtended strand (participates in β ladder)trans-110.6110.5175.1178.90000108.4V157 I163 I212V155-V157 HydrophobicContact CG1-CG2 4.43Å; V155-I163 HydrophobicContact CG2-CG1 4.41Å; V155-I212 HydrophobicContact CG2-CD1 3.4Å; V155-I212 VanDerWaalsContact CG2-CD1 3.4Å; V155-I212 HydrophobicContact CG2-CG1 4.34Å
156N72.7Confident79.7Confident97 Ų9745.3 Ų45.352%0.51927%0.269SS..EExtended strand (participates in β ladder)trans-91.5109.6174.5-71-24.5000108.4G158 Q162N156-G158 PolarHBondContact O-N 2.94Å; N156-G158 VanDerWaalsContact O-N 3.12Å; N156-Q162 PolarHBondContact N-O 2.68Å; N156-Q162 PolarHBondContact O-N 2.73Å
157V61.8Low81Confident136 Ų13645.2 Ų45.282%0.82427%0.268SS*.  trans-79.792.2175.6-173.60000108.3V155V155-V157 HydrophobicContact CG1-CG2 4.43Å
158G57.7Low81.5Confident53 Ų5343.3 Ų43.355%0.54626%0.261SS..SBendtrans-109-160.8168.300000111.6N156 V160N156-G158 PolarHBondContact O-N 2.94Å; N156-G158 VanDerWaalsContact O-N 3.12Å; G158-V160 PolarHBondContact O-N 3.24Å
159S43.5Very low81.6Confident136 Ų13643.3 Ų43.395%0.95126%0.261SS*.SBendtrans-61.3-28.2169.647.50000112.7
160V55.5Low81.5Confident104 Ų10443.3 Ų43.363%0.6326%0.261SS*.SBendtrans-123.1119.1165.8-1780000106.2G158 Q162G158-V160 PolarHBondContact O-N 3.24Å; V160-Q162 PolarHBondContact O-N 3.03Å; V160-Q162 VanDerWaalsContact O-N 3.1Å
161S61.2Low80.9Confident70 Ų7044.3 Ų44.349%0.4927%0.265SS..  trans-61.5113.2173.746.30000109.1
162Q71.5Confident80.1Confident110 Ų11045 Ų4551%0.51427%0.269SS..EExtended strand (participates in β ladder)trans-104.1129.6176.2-71.2-171.9-14.100109.6N156 V160N156-Q162 PolarHBondContact N-O 2.68Å; N156-Q162 PolarHBondContact O-N 2.73Å; V160-Q162 PolarHBondContact O-N 3.03Å; V160-Q162 VanDerWaalsContact O-N 3.1Å
163I85.1Confident78.9Confident6 Ų646.1 Ų46.13%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-97112.4175.9-56.4149.4000106.4I153 V155 V165 V183 D184 N185 E186 L188 W211I153-I163 HydrophobicContact CG2-CG2 3.69Å; V155-I163 HydrophobicContact CG2-CG1 4.41Å; I163-V165 HydrophobicContact CG2-CG2 4.35Å; I163-V183 CarbonylContact O-C 3.5Å; I163-V183 WeakPolarHBondContact O-CA 3.38Å; I163-D184 HydrophobicContact CG2-CB 4.4Å; I163-D184 PolarHBondContact O-N 3.5Å; I163-N185 WeakPolarHBondContact CD1-O 3.33Å; I163-E186 HydrophobicContact CD1-CB 4.47Å; I163-E186 HydrophobicContact CD1-CG 4.11Å; I163-L188 HydrophobicContact CG2-CD2 3.97Å; I163-W211 HydrophobicContact CD1-CH2 3.48Å; I163-W211 VanDerWaalsContact CD1-CH2 3.48Å; I163-W211 HydrophobicContact CD1-CZ2 4.35Å; I163-W211 HydrophobicContact CD1-CZ3 4.29Å; I163-W211 HydrophobicContact CG1-CH2 3.93Å; I163-W211 HydrophobicContact CG1-CZ2 4.49Å
164K89.3Confident77.9Confident50 Ų5047.4 Ų47.422%0.21729%0.285CS..EExtended strand (participates in β ladder)trans-100.2126.3174.5-177.7-173.9178.5-1700108.5F154 E181 D268F154-K164 HydrophobicContact CB-CB 4.34Å; F154-K164 PolarHBondContact N-O 2.91Å; F154-K164 PolarHBondContact O-N 3.18Å; K164-E181 WeakPolarHBondContact CE-OE2 3.37Å; K164-E181 IonicContact NZ-OE2 3.95Å; K164-E181 PolarHBondContact NZ-OE2 3.36Å; K164-D268 IonicContact NZ-OD2 3.28Å; K164-D268 PolarHBondContact NZ-OD2 3.4Å
165V92.1Very high77.5Confident0 Ų045.8 Ų45.80%028%0.278CS..EExtended strand (participates in β ladder)trans-110127.8175.3-177.60000108.3I153 I163 E181 F182 D184 L188 L191I153-V165 HydrophobicContact CG1-CG2 4.32Å; I163-V165 HydrophobicContact CG2-CG2 4.35Å; V165-E181 WeakPolarHBondContact O-CA 3.31Å; V165-F182 HydrophobicContact CB-CD2 4.09Å; V165-F182 HydrophobicContact CB-CE2 3.6Å; V165-F182 HydrophobicContact CB-CZ 3.87Å; V165-F182 HydrophobicContact CG1-CE1 4.39Å; V165-F182 HydrophobicContact CG1-CE2 3.92Å; V165-F182 HydrophobicContact CG1-CZ 3.69Å; V165-F182 HydrophobicContact CG2-CE2 4.13Å; V165-F182 PolarHBondContact N-O 3.11Å; V165-F182 PolarHBondContact O-N 3.43Å; V165-D184 HydrophobicContact CG2-CB 3.77Å; V165-L188 HydrophobicContact CG2-CD2 4.29Å; V165-L191 HydrophobicContact CG1-CB 4.43Å; V165-L191 HydrophobicContact CG1-CD1 4.08Å
166S93.4Very high77.6Confident0 Ų043.5 Ų43.50%026%0.264CS..EExtended strand (participates in β ladder)trans-112.5132.6174.3-53.90000108.9F151 K152 D268 C272F151-S166 CarbonylContact C-O 3.56Å; F151-S166 WeakPolarHBondContact CA-O 3.35Å; K152-S166 PolarHBondContact N-O 2.92Å; K152-S166 PolarHBondContact O-N 3.3Å; S166-D268 WeakPolarHBondContact OG-CB 3.42Å; S166-C272 PolarHBondContact O-SG 3.18Å
167L94.8Very high78.6Confident0 Ų038.9 Ų38.90%024%0.24CC..EExtended strand (participates in β ladder)trans-135.9138.9-170.7-174.3150.2000110.4V149 A150 F151 V179 C180 F182 L191 A194 L195 I198 I297V149-L167 HydrophobicContact CG1-CD1 3.83Å; V149-L167 HydrophobicContact CG1-CD2 4.1Å; V149-L167 HydrophobicContact CG1-CG 3.76Å; A150-L167 CarbonylContact O-C 3.53Å; A150-L167 WeakPolarHBondContact O-CA 3.3Å; F151-L167 HydrophobicContact CB-CB 4.43Å; F151-L167 HydrophobicContact CB-CD1 4.48Å; F151-L167 HydrophobicContact CB-CG 4.44Å; L167-V179 WeakPolarHBondContact O-CA 3.49Å; L167-C180 PolarHBondContact N-O 2.92Å; L167-C180 PolarHBondContact O-N 2.9Å; L167-F182 HydrophobicContact CB-CE1 4.38Å; L167-L191 HydrophobicContact CD1-CD1 3.92Å; L167-A194 HydrophobicContact CD1-CB 4.28Å; L167-L195 HydrophobicContact CD1-CD2 4.44Å; L167-I198 HydrophobicContact CD1-CD1 4.27Å; L167-I198 HydrophobicContact CD2-CD1 3.52Å; L167-I297 HydrophobicContact CD2-CD1 3.84Å
168A95.5Very high80Confident0 Ų034.7 Ų34.70%021%0.209CC..EExtended strand (participates in β ladder)trans-128.1141.3168.500000109.5V149 A150 R178 V179 C272 V273 I276V149-A168 CarbonylContact C-O 3.53Å; V149-A168 VanDerWaalsContact CA-O 3.24Å; V149-A168 WeakPolarHBondContact CA-O 3.32Å; A150-A168 PolarHBondContact N-O 3.04Å; A150-A168 PolarHBondContact O-N 3.44Å; A168-R178 CarbonylContact C-O 3.47Å; A168-R178 WeakPolarHBondContact CA-O 3.3Å; A168-V179 HydrophobicContact CB-CG1 3.97Å; A168-C272 HydrophobicContact CB-CB 3.55Å; A168-V273 HydrophobicContact CB-CG2 3.72Å; A168-I276 HydrophobicContact CB-CD1 3.74Å; A168-I276 WeakPolarHBondContact O-CD1 3.13Å
169C93.4Very high81.7Confident0 Ų032.2 Ų32.20%018%0.183CC..EExtended strand (participates in β ladder)trans-120.5130.6173.3175.50000108.3V148 V149 F177 R178 I198 I297V148-C169 WeakPolarHBondContact O-CA 3.18Å; V149-C169 HydrophobicContact CG2-CB 3.87Å; C169-F177 CarbonylContact O-C 3.6Å; C169-F177 WeakPolarHBondContact O-CA 3.49Å; C169-R178 PolarHBondContact N-O 2.63Å; C169-R178 PolarHBondContact O-N 2.6Å; C169-I198 HydrophobicContact CB-CD1 4.47Å; C169-I198 HydrophobicContact CB-CG2 4.25Å; C169-I198 VanDerWaalsContact SG-CG2 3.57Å; C169-I297 HydrophobicContact CB-CD1 4.09Å
170C91.8Very high84Confident0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-106.6124168.1178.70000109.4R147 V148 S176 F177 I276 L280R147-C170 WeakPolarHBondContact CA-O 3.15Å; V148-C170 PolarHBondContact N-O 2.9Å; V148-C170 VanDerWaalsContact N-O 3.17Å; V148-C170 PolarHBondContact O-N 3.37Å; C170-S176 WeakPolarHBondContact CA-O 3.28Å; C170-F177 HydrophobicContact CB-CD1 3.89Å; C170-F177 HydrophobicContact CB-CE1 3.85Å; C170-I276 HydrophobicContact CB-CD1 4.27Å; C170-I276 HydrophobicContact CB-CG2 3.45Å; C170-I276 VanDerWaalsContact CB-CG2 3.45Å; C170-L280 HydrophobicContact CB-CD1 4.29Å
171E84.2Confident85.6Confident21 Ų2123.5 Ų23.510%0.09812%0.121CC..EExtended strand (participates in β ladder)trans-107.2105.5173-172.1158.4-153.100109.2R147 L173 T174 H175 S176 R178R147-E171 HydrophobicContact CG-CB 4.39Å; R147-E171 HydrophobicContact CG-CG 4.17Å; R147-E171 IonicContact CZ-OE1 2.78Å; R147-E171 VanDerWaalsContact CZ-OE1 3.24Å; R147-E171 VanDerWaalsContact NE-CD 3.34Å; R147-E171 IonicContact NE-OE1 3.46Å; R147-E171 PolarHBondContact NE-OE1 3.37Å; R147-E171 IonicContact NE-OE2 3.38Å; R147-E171 IonicContact NH2-OE1 3.11Å; R147-E171 PolarHBondContact NH2-OE1 3.01Å; R147-E171 IonicContact NH2-OE2 3.67Å; E171-L173 VanDerWaalsContact C-N 3.25Å; E171-L173 PolarHBondContact O-N 2.99Å; E171-T174 WeakPolarHBondContact CB-OG1 3.4Å; E171-T174 HydrophobicContact CG-CG2 4.46Å; E171-T174 VanDerWaalsContact CG-OG1 3.29Å; E171-T174 WeakPolarHBondContact CG-OG1 3.47Å; E171-H175 WeakPolarHBondContact O-CA 3.26Å; E171-H175 PolarHBondContact O-N 3.4Å; E171-S176 PolarHBondContact N-O 3.4Å; E171-S176 PolarHBondContact O-N 3.48Å; E171-R178 IonicContact OE2-CZ 2.72Å; E171-R178 IonicContact OE2-NH1 3.02Å; E171-R178 IonicContact OE2-NH2 2.74Å; E171-R178 PolarHBondContact OE2-NH2 2.67Å
172L78.3Confident86.9Confident15 Ų1521.4 Ų21.48%0.07910%0.104CC..THydrogen-bonded Turntrans-72.3-16.3-175.8-69.2176.5000113.7N146 H175 L280 L282 F292N146-L172 HydrophobicContact CB-CD1 4.14Å; L172-H175 PolarHBondContact O-CD2 2.85Å; L172-H175 PolarHBondContact O-NE2 3.08Å; L172-L280 HydrophobicContact CD1-CD1 4.36Å; L172-L280 HydrophobicContact CD2-CD1 4.16Å; L172-L280 HydrophobicContact CG-CD1 4.4Å; L172-L282 HydrophobicContact CD2-CD2 3.9Å; L172-F292 HydrophobicContact CD2-CZ 4.28Å
173L70.1Confident87.6Confident50 Ų5020 Ų2026%0.26210%0.102SC..THydrogen-bonded Turntrans-77-43.4177-174.866.3000111.4E171 H353E171-L173 VanDerWaalsContact C-N 3.25Å; E171-L173 PolarHBondContact O-N 2.99Å; L173-H353 HydrophobicContact CD1-CB 3.97Å; L173-H353 HydrophobicContact CG-CB 4.35Å
174T71.8Confident87.5Confident52 Ų5220.3 Ų20.332%0.31910%0.104SC..THydrogen-bonded Turntrans-91.1-12.1-17951.50000113.1E171 S176E171-T174 WeakPolarHBondContact CB-OG1 3.4Å; E171-T174 HydrophobicContact CG-CG2 4.46Å; E171-T174 VanDerWaalsContact CG-OG1 3.29Å; E171-T174 WeakPolarHBondContact CG-OG1 3.47Å; T174-S176 PolarHBondContact OG1-OG 2.98Å
175H80.1Confident86.8Confident8 Ų819.9 Ų19.94%0.03710%0.104CC..THydrogen-bonded Turntrans53.560.6-167.5-57.4164.1000110.2E171 L172 Q291 F292 S293E171-H175 WeakPolarHBondContact O-CA 3.26Å; E171-H175 PolarHBondContact O-N 3.4Å; L172-H175 PolarHBondContact O-CD2 2.85Å; L172-H175 PolarHBondContact O-NE2 3.08Å; H175-Q291 HydrophobicContact CB-CB 4.3Å; H175-Q291 WeakPolarHBondContact CB-O 3.49Å; H175-Q291 WeakPolarHBondContact ND1-CB 3.4Å; H175-F292 VanDerWaalsContact C-CD1 3.45Å; H175-F292 HydrophobicContact CB-CD1 4.04Å; H175-F292 HydrophobicContact CB-CD2 4.21Å; H175-F292 HydrophobicContact CB-CE1 4.13Å; H175-F292 HydrophobicContact CB-CE2 4.27Å; H175-F292 HydrophobicContact CB-CG 4.09Å; H175-F292 HydrophobicContact CB-CZ 4.24Å; H175-F292 CarbonylContact O-C 3.25Å; H175-F292 WeakPolarHBondContact O-CA 3.01Å; H175-S293 PolarHBondContact O-N 3.12Å
176S86.6Confident86Confident5 Ų525.1 Ų25.14%0.03513%0.129CC..EExtended strand (participates in β ladder)trans-131.7136.7176.7610000111.6C170 E171 T174 S293C170-S176 WeakPolarHBondContact CA-O 3.28Å; E171-S176 PolarHBondContact N-O 3.4Å; E171-S176 PolarHBondContact O-N 3.48Å; T174-S176 PolarHBondContact OG1-OG 2.98Å; S176-S293 WeakPolarHBondContact CB-OG 3.26Å
177F92.4Very high85.1Confident0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-94.8128162.2-63.4-69.4000107.8C169 C170 L244 L248 V273 I276 V277 L282 F292 S293 L294 E295C169-F177 CarbonylContact O-C 3.6Å; C169-F177 WeakPolarHBondContact O-CA 3.49Å; C170-F177 HydrophobicContact CB-CD1 3.89Å; C170-F177 HydrophobicContact CB-CE1 3.85Å; F177-L244 HydrophobicContact CE2-CD2 4.44Å; F177-L248 HydrophobicContact CD2-CD2 4.27Å; F177-V273 HydrophobicContact CD1-CG1 4.15Å; F177-V273 HydrophobicContact CE1-CG1 4.37Å; F177-V273 HydrophobicContact CG-CG1 4.27Å; F177-I276 HydrophobicContact CE1-CG2 4.42Å; F177-V277 HydrophobicContact CE1-CG2 4.07Å; F177-V277 HydrophobicContact CZ-CG2 3.74Å; F177-L282 HydrophobicContact CE1-CD1 3.94Å; F177-L282 HydrophobicContact CZ-CD1 3.53Å; F177-F292 HydrophobicContact CD2-CB 3.96Å; F177-F292 AromaticContact CD2-CD1 3.77Å; F177-F292 HydrophobicContact CD2-CD1 3.77Å; F177-F292 HydrophobicContact CD2-CG 4.15Å; F177-F292 HydrophobicContact CE1-CD1 4.38Å; F177-F292 HydrophobicContact CE1-CE1 4.44Å; F177-F292 HydrophobicContact CE2-CB 3.72Å; F177-F292 AromaticContact CE2-CD1 3.36Å; F177-F292 HydrophobicContact CE2-CD1 3.36Å; F177-F292 HydrophobicContact CE2-CD2 4.47Å; F177-F292 HydrophobicContact CE2-CE1 4.08Å; F177-F292 AromaticContact CE2-CG 3.59Å; F177-F292 HydrophobicContact CE2-CG 3.59Å; F177-F292 HydrophobicContact CG-CD1 4.43Å; F177-F292 AromaticContact CZ-CD1 3.7Å; F177-F292 HydrophobicContact CZ-CD1 3.7Å; F177-F292 AromaticContact CZ-CE1 3.94Å; F177-F292 HydrophobicContact CZ-CE1 3.94Å; F177-F292 HydrophobicContact CZ-CG 4.22Å; F177-S293 PolarHBondContact N-O 3.16Å; F177-L294 HydrophobicContact CB-CD1 3.66Å; F177-L294 CarbonylContact O-C 3.51Å; F177-L294 WeakPolarHBondContact O-CA 3.46Å; F177-E295 PolarHBondContact O-N 2.93Å
178R91.6Very high84.6Confident49 Ų4928.8 Ų28.819%0.18515%0.145CC..EExtended strand (participates in β ladder)trans-118.9130.8172.1-53.7-171.9-74.8-143.8-19.8109.8A168 C169 E171 E295 I297A168-R178 CarbonylContact C-O 3.47Å; A168-R178 WeakPolarHBondContact CA-O 3.3Å; C169-R178 PolarHBondContact N-O 2.63Å; C169-R178 PolarHBondContact O-N 2.6Å; E171-R178 IonicContact OE2-CZ 2.72Å; E171-R178 IonicContact OE2-NH1 3.02Å; E171-R178 IonicContact OE2-NH2 2.74Å; E171-R178 PolarHBondContact OE2-NH2 2.67Å; R178-E295 CarbonylContact C-O 3.52Å; R178-E295 WeakPolarHBondContact CA-O 3.49Å; R178-E295 HydrophobicContact CG-CB 4.14Å; R178-I297 HydrophobicContact CB-CD1 3.77Å; R178-I297 HydrophobicContact CB-CG1 3.32Å; R178-I297 HydrophobicContact CG-CG1 4.49Å
179V93.8Very high83.7Confident0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-124.9145.9-172.4-66.50000112.1L167 A168 E263 L266 A269 M270 V273 L294 E295 T296 I297L167-V179 WeakPolarHBondContact O-CA 3.49Å; A168-V179 HydrophobicContact CB-CG1 3.97Å; V179-E263 HydrophobicContact CG2-CB 4.08Å; V179-E263 HydrophobicContact CG2-CG 4.4Å; V179-L266 HydrophobicContact CG2-CD1 4.04Å; V179-A269 HydrophobicContact CB-CB 3.96Å; V179-A269 HydrophobicContact CG1-CB 4.37Å; V179-M270 HydrophobicContact CB-CE 4.21Å; V179-M270 HydrophobicContact CG1-CE 3.73Å; V179-M270 HydrophobicContact CG2-CE 3.96Å; V179-V273 HydrophobicContact CG1-CG2 3.42Å; V179-V273 VanDerWaalsContact CG1-CG2 3.42Å; V179-L294 HydrophobicContact CG1-CD1 4.01Å; V179-L294 HydrophobicContact CG2-CD1 4.2Å; V179-E295 WeakPolarHBondContact CG2-O 3.46Å; V179-E295 PolarHBondContact N-O 3.31Å; V179-T296 CarbonylContact O-C 3.48Å; V179-T296 WeakPolarHBondContact O-CA 3.4Å; V179-I297 PolarHBondContact O-N 3.13Å
180C91.1Very high83.1Confident6 Ų630.9 Ų30.94%0.04116%0.157CC..EExtended strand (participates in β ladder)trans-151.2157.1169.460.90000112.1L167 I297L167-C180 PolarHBondContact N-O 2.92Å; L167-C180 PolarHBondContact O-N 2.9Å; C180-I297 HydrophobicContact CB-CB 3.9Å; C180-I297 VanDerWaalsContact CB-O 3.3Å; C180-I297 WeakPolarHBondContact CB-O 3.5Å
181E90.8Very high83Confident51 Ų5130.9 Ų30.924%0.23816%0.157CC..EExtended strand (participates in β ladder)trans-130.1134.7170.5-59.1-176.7176.700107.6K164 V165 L266 D268 A269K164-E181 WeakPolarHBondContact CE-OE2 3.37Å; K164-E181 IonicContact NZ-OE2 3.95Å; K164-E181 PolarHBondContact NZ-OE2 3.36Å; V165-E181 WeakPolarHBondContact O-CA 3.31Å; E181-L266 HydrophobicContact CG-CB 4.27Å; E181-L266 HydrophobicContact CG-CD2 4.14Å; E181-L266 WeakPolarHBondContact OE1-CA 3.25Å; E181-L266 WeakPolarHBondContact OE1-CB 3.33Å; E181-D268 WeakPolarHBondContact OE1-CB 3.42Å; E181-D268 PolarHBondContact OE1-N 2.97Å; E181-D268 VanDerWaalsContact OE1-N 3.15Å; E181-A269 HydrophobicContact CG-CB 3.84Å; E181-A269 PolarHBondContact OE1-N 3.4Å
182F87.7Confident82.9Confident27 Ų2730.7 Ų30.712%0.11816%0.156CC..EExtended strand (participates in β ladder)trans-147.1155.6178.553.1-92.7000111.1V165 L167 D184 N190 L191 A194 L299V165-F182 HydrophobicContact CB-CD2 4.09Å; V165-F182 HydrophobicContact CB-CE2 3.6Å; V165-F182 HydrophobicContact CB-CZ 3.87Å; V165-F182 HydrophobicContact CG1-CE1 4.39Å; V165-F182 HydrophobicContact CG1-CE2 3.92Å; V165-F182 HydrophobicContact CG1-CZ 3.69Å; V165-F182 HydrophobicContact CG2-CE2 4.13Å; V165-F182 PolarHBondContact N-O 3.11Å; V165-F182 PolarHBondContact O-N 3.43Å; L167-F182 HydrophobicContact CB-CE1 4.38Å; F182-D184 HydrophobicContact CE2-CB 4.49Å; F182-N190 HydrophobicContact CD2-CB 3.53Å; F182-N190 HydrophobicContact CE2-CB 3.56Å; F182-N190 HydrophobicContact CG-CB 4.49Å; F182-L191 HydrophobicContact CE2-CB 4.21Å; F182-L191 HydrophobicContact CZ-CB 4.18Å; F182-L191 HydrophobicContact CZ-CD1 4.45Å; F182-A194 HydrophobicContact CE1-CB 4.31Å; F182-A194 HydrophobicContact CZ-CB 4.26Å; F182-L299 HydrophobicContact CD1-CD1 3.49Å; F182-L299 VanDerWaalsContact CD1-CD1 3.49Å; F182-L299 HydrophobicContact CE1-CD1 3.67Å; F182-L299 HydrophobicContact CG-CD1 4.05Å; F182-L299 HydrophobicContact CZ-CD1 4.36Å
183V85.3Confident82.9Confident80 Ų8030.7 Ų30.749%0.48516%0.157SC..EExtended strand (participates in β ladder)trans-84.2139.6171.3-178.80000108.4I163 N190I163-V183 CarbonylContact O-C 3.5Å; I163-V183 WeakPolarHBondContact O-CA 3.38Å; V183-N190 PolarHBondContact O-ND2 3.37Å
184D83Confident83.6Confident13 Ų1328.3 Ų28.37%0.0715%0.145CC..EExtended strand (participates in β ladder)trans-125.4169.7-179.8-142.5-25.9000111.5I163 V165 F182 L188 S189 N190 L191I163-D184 HydrophobicContact CG2-CB 4.4Å; I163-D184 PolarHBondContact O-N 3.5Å; V165-D184 HydrophobicContact CG2-CB 3.77Å; F182-D184 HydrophobicContact CE2-CB 4.49Å; D184-L188 HydrophobicContact CB-CD2 4.35Å; D184-L188 VanDerWaalsContact CG-CA 3.44Å; D184-L188 VanDerWaalsContact OD1-C 3.31Å; D184-L188 WeakPolarHBondContact OD1-CA 3.44Å; D184-L188 VanDerWaalsContact OD2-C 3.25Å; D184-L188 VanDerWaalsContact OD2-CA 3.3Å; D184-L188 WeakPolarHBondContact OD2-CA 3.43Å; D184-S189 PolarHBondContact OD1-N 3.48Å; D184-N190 PolarHBondContact OD1-N 3.03Å; D184-N190 PolarHBondContact OD2-N 3.04Å; D184-L191 WeakPolarHBondContact OD2-CB 3.37Å; D184-L191 PolarHBondContact OD2-N 3.41Å
185N75.9Confident84.4Confident41 Ų4125.9 Ų25.922%0.21913%0.13CC..  trans-98.3176.6173.966.235.5000110.8I163 H187 L188 S189I163-N185 WeakPolarHBondContact CD1-O 3.33Å; N185-H187 PolarHBondContact O-N 3.13Å; N185-H187 WeakPolarHBondContact OD1-CA 3.44Å; N185-H187 WeakPolarHBondContact OD1-CB 3.44Å; N185-H187 PolarHBondContact OD1-N 3.46Å; N185-L188 PolarHBondContact O-N 3.23Å; N185-L188 PolarHBondContact OD1-N 3.06Å; N185-L188 VanDerWaalsContact OD1-N 3.08Å; N185-S189 WeakPolarHBondContact ND2-CB 3.06Å; N185-S189 PolarHBondContact ND2-OG 2.83Å; N185-S189 PolarHBondContact OD1-N 3.36Å; N185-S189 PolarHBondContact OD1-OG 2.81Å
186E75.1Confident84.4Confident110 Ų11025.8 Ų25.851%0.51413%0.13SC..THydrogen-bonded Turntrans-61.8-15.4-178.9-61.7174.2173.900114.2I163 W211I163-E186 HydrophobicContact CD1-CB 4.47Å; I163-E186 HydrophobicContact CD1-CG 4.11Å; E186-W211 HydrophobicContact CB-CH2 4.34Å; E186-W211 HydrophobicContact CB-CZ3 3.96Å; E186-W211 HydrophobicContact CG-CH2 4.26Å; E186-W211 HydrophobicContact CG-CZ3 4.34Å; E186-W211 WeakPolarHBondContact O-CZ3 3.28Å
187H73.9Confident83.9Confident76 Ų7627 Ų2735%0.35214%0.135SC..THydrogen-bonded Turntrans-99-0.9176.8-55.5-54.4000113.3N185 S189 K701N185-H187 PolarHBondContact O-N 3.13Å; N185-H187 WeakPolarHBondContact OD1-CA 3.44Å; N185-H187 WeakPolarHBondContact OD1-CB 3.44Å; N185-H187 PolarHBondContact OD1-N 3.46Å; H187-S189 VanDerWaalsContact C-N 3.29Å; H187-S189 PolarHBondContact O-N 3.04Å; H187-K701 PolarHBondContact CD2-NZ 3.46Å; H187-K701 PolarHBondContact NE2-NZ 2.98Å
188L84.1Confident83.4Confident0 Ų027.2 Ų27.20%014%0.136CC..  trans57.138.7-179.8-54.2176.2000113.3I153 I163 V165 D184 N185 N190 L191 Q192 A215 V216 V219I153-L188 HydrophobicContact CD1-CD1 3.65Å; I153-L188 HydrophobicContact CD1-CD2 4.07Å; I163-L188 HydrophobicContact CG2-CD2 3.97Å; V165-L188 HydrophobicContact CG2-CD2 4.29Å; D184-L188 HydrophobicContact CB-CD2 4.35Å; D184-L188 VanDerWaalsContact CG-CA 3.44Å; D184-L188 VanDerWaalsContact OD1-C 3.31Å; D184-L188 WeakPolarHBondContact OD1-CA 3.44Å; D184-L188 VanDerWaalsContact OD2-C 3.25Å; D184-L188 VanDerWaalsContact OD2-CA 3.3Å; D184-L188 WeakPolarHBondContact OD2-CA 3.43Å; N185-L188 PolarHBondContact O-N 3.23Å; N185-L188 PolarHBondContact OD1-N 3.06Å; N185-L188 VanDerWaalsContact OD1-N 3.08Å; L188-N190 PolarHBondContact O-N 2.81Å; L188-L191 HydrophobicContact CB-CB 4.2Å; L188-L191 HydrophobicContact CB-CD2 4.35Å; L188-L191 HydrophobicContact CD1-CD2 4.25Å; L188-L191 WeakPolarHBondContact O-CB 3.43Å; L188-L191 PolarHBondContact O-N 3.36Å; L188-Q192 PolarHBondContact O-N 3.28Å; L188-A215 HydrophobicContact CD1-CB 3.91Å; L188-A215 HydrophobicContact CG-CB 4.16Å; L188-V216 HydrophobicContact CD1-CB 4.48Å; L188-V216 HydrophobicContact CD1-CG2 3.61Å; L188-V219 HydrophobicContact CB-CG2 3.94Å
189S76.1Confident82.9Confident4 Ų426.7 Ų26.73%0.02814%0.142CC..Hα-helixtrans-62-38.4-175.9-50.90000113.4D184 N185 H187 Q192 C193 N698D184-S189 PolarHBondContact OD1-N 3.48Å; N185-S189 WeakPolarHBondContact ND2-CB 3.06Å; N185-S189 PolarHBondContact ND2-OG 2.83Å; N185-S189 PolarHBondContact OD1-N 3.36Å; N185-S189 PolarHBondContact OD1-OG 2.81Å; H187-S189 VanDerWaalsContact C-N 3.29Å; H187-S189 PolarHBondContact O-N 3.04Å; S189-Q192 PolarHBondContact O-N 3.16Å; S189-C193 PolarHBondContact O-N 3.11Å; S189-N698 VanDerWaalsContact CB-OD1 3.3Å; S189-N698 WeakPolarHBondContact CB-OD1 3.48Å; S189-N698 PolarHBondContact OG-OD1 3.11Å
190N81.7Confident82.5Confident40 Ų4027 Ų2721%0.21414%0.144CC..Hα-helixtrans-71.1-37178.7-73.4-33.7000110.8F182 V183 D184 L188 C193 A194F182-N190 HydrophobicContact CD2-CB 3.53Å; F182-N190 HydrophobicContact CE2-CB 3.56Å; F182-N190 HydrophobicContact CG-CB 4.49Å; V183-N190 PolarHBondContact O-ND2 3.37Å; D184-N190 PolarHBondContact OD1-N 3.03Å; D184-N190 PolarHBondContact OD2-N 3.04Å; L188-N190 PolarHBondContact O-N 2.81Å; N190-C193 PolarHBondContact O-N 3.22Å; N190-A194 VanDerWaalsContact O-CB 3.32Å; N190-A194 WeakPolarHBondContact O-CB 3.47Å; N190-A194 PolarHBondContact O-N 3.37Å
191L88.7Confident82.1Confident0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-61.8-45.3171.4175.662.1000110.9F151 V165 L167 F182 D184 L188 C193 A194 L195F151-L191 HydrophobicContact CB-CD1 4.34Å; F151-L191 HydrophobicContact CD2-CD1 4.39Å; F151-L191 HydrophobicContact CD2-CD2 3.95Å; F151-L191 HydrophobicContact CE2-CD2 3.93Å; F151-L191 HydrophobicContact CG-CD1 4.2Å; F151-L191 HydrophobicContact CZ-CD2 4.47Å; V165-L191 HydrophobicContact CG1-CB 4.43Å; V165-L191 HydrophobicContact CG1-CD1 4.08Å; L167-L191 HydrophobicContact CD1-CD1 3.92Å; F182-L191 HydrophobicContact CE2-CB 4.21Å; F182-L191 HydrophobicContact CZ-CB 4.18Å; F182-L191 HydrophobicContact CZ-CD1 4.45Å; D184-L191 WeakPolarHBondContact OD2-CB 3.37Å; D184-L191 PolarHBondContact OD2-N 3.41Å; L188-L191 HydrophobicContact CB-CB 4.2Å; L188-L191 HydrophobicContact CB-CD2 4.35Å; L188-L191 HydrophobicContact CD1-CD2 4.25Å; L188-L191 WeakPolarHBondContact O-CB 3.43Å; L188-L191 PolarHBondContact O-N 3.36Å; L191-C193 VanDerWaalsContact C-N 3.33Å; L191-C193 PolarHBondContact O-N 3.26Å; L191-A194 PolarHBondContact O-N 3.14Å; L191-L195 HydrophobicContact CD1-CD1 4Å; L191-L195 HydrophobicContact CD1-CD2 4.4Å; L191-L195 HydrophobicContact CD1-CG 3.94Å; L191-L195 HydrophobicContact CG-CD1 4.01Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.25Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 2.72Å
192Q83.4Confident81.9Confident17 Ų1726.4 Ų26.48%0.07914%0.139CC..Hα-helixtrans-56.3-49.6175.6-175.4-171.213.300111L188 S189 A194 L195 V196 V219 I223 Y307L188-Q192 PolarHBondContact O-N 3.28Å; S189-Q192 PolarHBondContact O-N 3.16Å; Q192-A194 PolarHBondContact O-N 2.93Å; Q192-L195 PolarHBondContact O-N 3.26Å; Q192-V196 WeakPolarHBondContact O-CG2 3.33Å; Q192-V196 PolarHBondContact O-N 3.2Å; Q192-V219 HydrophobicContact CB-CG1 4.05Å; Q192-V219 HydrophobicContact CB-CG2 4.43Å; Q192-V219 HydrophobicContact CG-CG1 4.37Å; Q192-I223 HydrophobicContact CB-CD1 4.4Å; Q192-I223 HydrophobicContact CG-CD1 3.89Å; Q192-I223 HydrophobicContact CG-CG1 4.13Å; Q192-Y307 VanDerWaalsContact NE2-CB 3.28Å
193C78.2Confident82.1Confident16 Ų1625.1 Ų25.111%0.10813%0.133CC..Hα-helixtrans-62.1-43.4178.7-167.20000111.9S189 N190 L191 L195 V196 Q197 R304S189-C193 PolarHBondContact O-N 3.11Å; N190-C193 PolarHBondContact O-N 3.22Å; L191-C193 VanDerWaalsContact C-N 3.33Å; L191-C193 PolarHBondContact O-N 3.26Å; C193-L195 PolarHBondContact O-N 3.28Å; C193-V196 PolarHBondContact O-N 3.05Å; C193-Q197 WeakPolarHBondContact O-CB 3.22Å; C193-Q197 VanDerWaalsContact O-CG 3.27Å; C193-Q197 WeakPolarHBondContact O-CG 3.48Å; C193-Q197 PolarHBondContact O-N 2.79Å; C193-R304 VanDerWaalsContact SG-CB 3.58Å
194A84.7Confident82.4Confident0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-60.9-42.9176.800000111.9L167 F182 N190 L191 Q192 Q197 I198 L299L167-A194 HydrophobicContact CD1-CB 4.28Å; F182-A194 HydrophobicContact CE1-CB 4.31Å; F182-A194 HydrophobicContact CZ-CB 4.26Å; N190-A194 VanDerWaalsContact O-CB 3.32Å; N190-A194 WeakPolarHBondContact O-CB 3.47Å; N190-A194 PolarHBondContact O-N 3.37Å; L191-A194 PolarHBondContact O-N 3.14Å; Q192-A194 PolarHBondContact O-N 2.93Å; A194-Q197 PolarHBondContact O-N 3.34Å; A194-I198 WeakPolarHBondContact O-CB 3.35Å; A194-I198 WeakPolarHBondContact O-CD1 3.43Å; A194-I198 WeakPolarHBondContact O-CG1 3.46Å; A194-I198 PolarHBondContact O-N 2.89Å; A194-L299 HydrophobicContact CB-CD1 3.92Å; A194-L299 HydrophobicContact CB-CD2 3.67Å; A194-L299 HydrophobicContact CB-CG 4.48Å
195L88.1Confident83Confident0 Ų020.8 Ų20.80%011%0.107CC..Hα-helixtrans-66.8-41.7178.2-70.2177.6000112V149 L167 L191 Q192 C193 I198 A199 P200 C203 V219 F220 I223V149-L195 HydrophobicContact CB-CD2 4.48Å; V149-L195 HydrophobicContact CG1-CD2 3.91Å; L167-L195 HydrophobicContact CD1-CD2 4.44Å; L191-L195 HydrophobicContact CD1-CD1 4Å; L191-L195 HydrophobicContact CD1-CD2 4.4Å; L191-L195 HydrophobicContact CD1-CG 3.94Å; L191-L195 HydrophobicContact CG-CD1 4.01Å; L191-L195 HydrophobicContact CG-CG 4.35Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.25Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 2.72Å; Q192-L195 PolarHBondContact O-N 3.26Å; C193-L195 PolarHBondContact O-N 3.28Å; L195-I198 PolarHBondContact O-N 2.85Å; L195-A199 WeakPolarHBondContact O-CA 3.49Å; L195-A199 PolarHBondContact O-N 3.31Å; L195-P200 HydrophobicContact CD2-CG 3.98Å; L195-P200 WeakPolarHBondContact O-CD 3.36Å; L195-C203 WeakPolarHBondContact CD2-SG 3.48Å; L195-V219 HydrophobicContact CD1-CG1 4.19Å; L195-F220 HydrophobicContact CD1-CE1 4.13Å; L195-F220 HydrophobicContact CD1-CE2 3.87Å; L195-F220 HydrophobicContact CD1-CZ 3.5Å; L195-F220 VanDerWaalsContact CD1-CZ 3.5Å; L195-I223 HydrophobicContact CB-CD1 3.62Å; L195-I223 HydrophobicContact CD1-CD1 3.84Å; L195-I223 HydrophobicContact CG-CD1 4.38Å
196V80.4Confident83.8Confident7 Ų719.6 Ų19.64%0.04210%0.101CC..Hα-helixtrans-62-44.7173.9169.70000110.9Q192 C193 I223 Y307 F310Q192-V196 WeakPolarHBondContact O-CG2 3.33Å; Q192-V196 PolarHBondContact O-N 3.2Å; C193-V196 PolarHBondContact O-N 3.05Å; V196-I223 HydrophobicContact CG2-CD1 4.34Å; V196-I223 HydrophobicContact CG2-CG1 4.31Å; V196-I223 HydrophobicContact CG2-CG2 4.25Å; V196-Y307 HydrophobicContact CG2-CD2 4.26Å; V196-F310 HydrophobicContact CG1-CB 3.56Å; V196-F310 HydrophobicContact CG1-CD1 4.47Å; V196-F310 HydrophobicContact CG1-CD2 3.56Å; V196-F310 HydrophobicContact CG1-CE2 4.38Å; V196-F310 HydrophobicContact CG1-CG 3.61Å
197Q75.5Confident84.5Confident29 Ų2918.1 Ų18.114%0.13611%0.108CC..Hα-helixtrans-67.3-40.2178.6-74.4178.9-8.900112.7C193 A194 L303 K317C193-Q197 WeakPolarHBondContact O-CB 3.22Å; C193-Q197 VanDerWaalsContact O-CG 3.27Å; C193-Q197 WeakPolarHBondContact O-CG 3.48Å; C193-Q197 PolarHBondContact O-N 2.79Å; A194-Q197 PolarHBondContact O-N 3.34Å; Q197-L303 PolarHBondContact NE2-O 3.18Å; Q197-L303 VanDerWaalsContact NE2-O 3.11Å; Q197-K317 WeakPolarHBondContact O-CE 3.21Å; Q197-K317 PolarHBondContact O-NZ 2.7Å
198I81.9Confident85Confident5 Ų516.2 Ų16.23%0.02610%0.101CC..Hα-helixtrans-74.1-36.7179.5-66.1164.9000110.7R147 V149 L167 C169 A194 L195 P200 I297R147-I198 WeakPolarHBondContact CD-O 3.27Å; R147-I198 PolarHBondContact NH1-O 2.9Å; V149-I198 HydrophobicContact CG2-CB 4.49Å; V149-I198 HydrophobicContact CG2-CD1 4.22Å; V149-I198 HydrophobicContact CG2-CG2 3.67Å; L167-I198 HydrophobicContact CD1-CD1 4.27Å; L167-I198 HydrophobicContact CD2-CD1 3.52Å; C169-I198 HydrophobicContact CB-CD1 4.47Å; C169-I198 HydrophobicContact CB-CG2 4.25Å; C169-I198 VanDerWaalsContact SG-CG2 3.57Å; A194-I198 WeakPolarHBondContact O-CB 3.35Å; A194-I198 WeakPolarHBondContact O-CD1 3.43Å; A194-I198 WeakPolarHBondContact O-CG1 3.46Å; A194-I198 PolarHBondContact O-N 2.89Å; L195-I198 PolarHBondContact O-N 2.85Å; I198-P200 HydrophobicContact CG2-CB 4.49Å; I198-I297 HydrophobicContact CD1-CD1 3.82Å; I198-I297 HydrophobicContact CG1-CD1 4.44Å
199A80.9Confident85Confident38 Ų3821.9 Ų21.931%0.31414%0.136SC..  trans50.160.9-171.300000112.2L195L195-A199 WeakPolarHBondContact O-CA 3.49Å; L195-A199 PolarHBondContact O-N 3.31Å
200P86.3Confident85.3Confident6 Ų624.5 Ų24.54%0.03916%0.163CC..  trans-68.4150176.828.7-30.9000111.4R147 V149 L195 I198 E202 C203 I225R147-P200 CarbonylContact O-C 3.57Å; R147-P200 WeakPolarHBondContact O-CA 3.46Å; R147-P200 WeakPolarHBondContact O-CB 3.32Å; V149-P200 HydrophobicContact CB-CB 3.93Å; V149-P200 HydrophobicContact CB-CG 4.05Å; V149-P200 HydrophobicContact CG2-CB 3.64Å; V149-P200 HydrophobicContact CG2-CG 3.84Å; L195-P200 HydrophobicContact CD2-CG 3.98Å; L195-P200 WeakPolarHBondContact O-CD 3.36Å; I198-P200 HydrophobicContact CG2-CB 4.49Å; P200-E202 VanDerWaalsContact C-N 3.32Å; P200-C203 WeakPolarHBondContact CG-SG 3.38Å; P200-I225 HydrophobicContact CG-CD1 3.94Å; P200-I225 HydrophobicContact CG-CG2 4.42Å
201R81.4Confident85.3Confident46 Ų4628.4 Ų28.417%0.17418%0.175CC..SBendtrans-78-22.6170.9-83-168.1170.9-179.30.9113L100 P126 I142 V145 N146 R147 P226L100-R201 VanDerWaalsContact CD2-CZ 3.5Å; L100-R201 VanDerWaalsContact CD2-NH2 3.32Å; P126-R201 WeakPolarHBondContact O-CD 3.29Å; I142-R201 PolarHBondContact O-NH1 3.33Å; V145-R201 VanDerWaalsContact O-CD 3.31Å; V145-R201 WeakPolarHBondContact O-CD 3.29Å; V145-R201 WeakPolarHBondContact O-CG 3.42Å; V145-R201 PolarHBondContact O-NE 3.06Å; N146-R201 VanDerWaalsContact OD1-CD 3.24Å; N146-R201 WeakPolarHBondContact OD1-CD 3.44Å; N146-R201 PolarHBondContact OD1-NH1 2.94Å; R147-R201 PolarHBondContact O-N 3Å; R201-P226 WeakPolarHBondContact O-CD 3.3Å
202E86.6Confident85.2Confident0 Ų029.7 Ų29.70%018%0.182CC..EExtended strand (participates in β ladder)trans-156.1143178-172.8170.8-150.400109.6R105 T125 G127 V149 P200 P226 T228 Y279R105-E202 IonicContact NE-OE1 2.65Å; T125-E202 WeakPolarHBondContact CB-OE2 3.31Å; T125-E202 PolarHBondContact OG1-OE2 3.24Å; G127-E202 WeakPolarHBondContact CA-OE2 3.43Å; G127-E202 PolarHBondContact N-OE2 3.27Å; V149-E202 PolarHBondContact N-O 3.31Å; P200-E202 VanDerWaalsContact C-N 3.32Å; E202-P226 HydrophobicContact CG-CB 4.39Å; E202-T228 PolarHBondContact OE1-OG1 3.05Å; E202-Y279 PolarHBondContact OE1-OH 2.98Å; E202-Y279 PolarHBondContact OE2-OH 3.35Å
203C92.4Very high85.3Confident0 Ų030.7 Ų30.70%019%0.191CC..EExtended strand (participates in β ladder)trans-113.4145172.9-70.10000111.1V149 F151 L195 P200 F220 P226 L227 T228V149-C203 CarbonylContact O-C 3.57Å; V149-C203 WeakPolarHBondContact O-CA 3.26Å; F151-C203 HydrophobicContact CD1-CB 4.49Å; F151-C203 HydrophobicContact CE1-CB 4.21Å; L195-C203 WeakPolarHBondContact CD2-SG 3.48Å; P200-C203 WeakPolarHBondContact CG-SG 3.38Å; C203-F220 HydrophobicContact CB-CE1 3.37Å; C203-F220 HydrophobicContact CB-CZ 3.47Å; C203-F220 VanDerWaalsContact CB-CZ 3.47Å; C203-F220 VanDerWaalsContact SG-CE1 3.59Å; C203-P226 PolarHBondContact N-O 3.31Å; C203-L227 HydrophobicContact CB-CD1 3.9Å; C203-L227 CarbonylContact O-C 3.51Å; C203-L227 WeakPolarHBondContact O-CA 3.37Å; C203-T228 PolarHBondContact O-N 3.28Å
204I93.1Very high85.6Confident0 Ų033.5 Ų33.50%021%0.21CC..EExtended strand (participates in β ladder)trans-121134.2179.5-56.2161.1000108.8V148 V149 A150 F151 T228 V230 Y279V148-I204 HydrophobicContact CG1-CD1 3.41Å; V148-I204 VanDerWaalsContact CG1-CD1 3.41Å; V148-I204 HydrophobicContact CG1-CG1 4.08Å; V149-I204 PolarHBondContact O-N 2.91Å; A150-I204 VanDerWaalsContact CA-O 3.25Å; A150-I204 WeakPolarHBondContact CA-O 3.33Å; A150-I204 HydrophobicContact CB-CB 4.3Å; F151-I204 PolarHBondContact N-O 3.49Å; I204-T228 WeakPolarHBondContact CA-O 3.49Å; I204-V230 HydrophobicContact CG2-CB 4.1Å; I204-V230 HydrophobicContact CG2-CG1 3.49Å; I204-V230 VanDerWaalsContact CG2-CG1 3.49Å; I204-V230 HydrophobicContact CG2-CG2 3.45Å; I204-V230 VanDerWaalsContact CG2-CG2 3.45Å; I204-Y279 HydrophobicContact CD1-CD1 3.24Å; I204-Y279 HydrophobicContact CD1-CD2 3.88Å; I204-Y279 HydrophobicContact CD1-CE1 3.7Å; I204-Y279 HydrophobicContact CD1-CE2 4.32Å; I204-Y279 HydrophobicContact CD1-CG 3.31Å; I204-Y279 HydrophobicContact CG1-CD1 4.24Å; I204-Y279 HydrophobicContact CG1-CD2 4.41Å; I204-Y279 HydrophobicContact CG1-CE1 4.26Å; I204-Y279 HydrophobicContact CG1-CE2 4.49Å; I204-Y279 HydrophobicContact CG1-CG 4.28Å
205T94.9Very high85.5Confident2 Ų234 Ų341%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-150.9178176-162.20000111.8F151 L227 T228 I229 V230F151-T205 HydrophobicContact CE1-CG2 4.07Å; F151-T205 HydrophobicContact CE2-CG2 4.29Å; F151-T205 WeakPolarHBondContact CE2-OG1 3.48Å; F151-T205 VanDerWaalsContact CZ-CB 3.5Å; F151-T205 HydrophobicContact CZ-CG2 3.68Å; F151-T205 WeakPolarHBondContact O-CB 3.5Å; F151-T205 PolarHBondContact O-OG1 2.82Å; T205-L227 HydrophobicContact CG2-CD1 3.65Å; T205-L227 HydrophobicContact CG2-CD2 4.18Å; T205-L227 HydrophobicContact CG2-CG 4.16Å; T205-T228 PolarHBondContact N-O 3.24Å; T205-I229 HydrophobicContact CG2-CD1 3.52Å; T205-I229 WeakPolarHBondContact O-CA 3.43Å; T205-V230 PolarHBondContact O-N 3.1Å
206L92.5Very high85.5Confident16 Ų1634.1 Ų34.18%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-91.3155.9172.6-64.8168.4000109.8K152 T208 Q232 F235K152-L206 HydrophobicContact CD-CD1 3.87Å; K152-L206 HydrophobicContact CG-CD1 4.19Å; L206-T208 PolarHBondContact O-N 3.4Å; L206-T208 VanDerWaalsContact O-N 3.16Å; L206-Q232 HydrophobicContact CD2-CB 4.49Å; L206-F235 HydrophobicContact CD1-CB 4.39Å; L206-F235 HydrophobicContact CD1-CD2 4.07Å; L206-F235 HydrophobicContact CD1-CE2 4.46Å; L206-F235 HydrophobicContact CD1-CG 4.09Å; L206-F235 HydrophobicContact CD2-CD2 3.4Å; L206-F235 VanDerWaalsContact CD2-CD2 3.4Å; L206-F235 HydrophobicContact CD2-CE2 3.78Å; L206-F235 HydrophobicContact CD2-CG 4.18Å; L206-F235 HydrophobicContact CG-CD2 3.59Å; L206-F235 HydrophobicContact CG-CE2 3.67Å; L206-F235 HydrophobicContact CG-CG 4.13Å; L206-F235 HydrophobicContact CG-CZ 4.3Å
207A88.8Confident85.7Confident79 Ų7936.5 Ų36.565%0.65323%0.228SC*.PPolyproline II helixtrans-59.5121.4171.500000109.7I229A207-I229 HydrophobicContact CB-CG2 3.88Å
208T85.7Confident85.8Confident36 Ų3638.1 Ų38.122%0.22124%0.242CC..PPolyproline II helixtrans-96.5156.4175.552.70000110.2L206 I212 S213 V216L206-T208 PolarHBondContact O-N 3.4Å; L206-T208 VanDerWaalsContact O-N 3.16Å; T208-I212 HydrophobicContact CG2-CG2 4Å; T208-S213 VanDerWaalsContact OG1-CA 3.32Å; T208-S213 WeakPolarHBondContact OG1-CA 3.47Å; T208-V216 HydrophobicContact CG2-CG2 4.5Å
209T83.8Confident85.8Confident119 Ų11938 Ų3873%0.7324%0.242SC*.  trans-126.7154.9-178.155.60000111.3
210G83.3Confident86Confident58 Ų5837 Ų3760%0.59823%0.23SC*.THydrogen-bonded Turntrans71.4-150.9177.300000112.9I212 S213G210-I212 PolarHBondContact O-N 2.85Å; G210-S213 WeakPolarHBondContact O-CB 3.47Å; G210-S213 PolarHBondContact O-N 2.89Å; G210-S213 VanDerWaalsContact O-N 3.09Å
211W81.5Confident85.3Confident123 Ų12341.6 Ų41.647%0.46625%0.247SC..Hα-helixtrans-62-24.4-176.367-95.5000113.3I163 E186 S213 S214 A215I163-W211 HydrophobicContact CD1-CH2 3.48Å; I163-W211 VanDerWaalsContact CD1-CH2 3.48Å; I163-W211 HydrophobicContact CD1-CZ2 4.35Å; I163-W211 HydrophobicContact CD1-CZ3 4.29Å; I163-W211 HydrophobicContact CG1-CH2 3.93Å; I163-W211 HydrophobicContact CG1-CZ2 4.49Å; E186-W211 HydrophobicContact CB-CH2 4.34Å; E186-W211 HydrophobicContact CB-CZ3 3.96Å; E186-W211 HydrophobicContact CG-CH2 4.26Å; E186-W211 HydrophobicContact CG-CZ3 4.34Å; E186-W211 WeakPolarHBondContact O-CZ3 3.28Å; W211-S213 VanDerWaalsContact C-N 3.33Å; W211-S213 PolarHBondContact O-N 3.45Å; W211-S214 WeakPolarHBondContact O-CB 3.4Å; W211-S214 PolarHBondContact O-N 2.83Å; W211-A215 PolarHBondContact O-N 3.5Å
212I86.1Confident84.6Confident27 Ų2741.8 Ų41.814%0.13825%0.251CS..Hα-helixtrans-64.4-38176.1-55.6168.6000111I153 V155 T208 G210 S214 A215 V216I153-I212 HydrophobicContact CD1-CG2 3.87Å; I153-I212 HydrophobicContact CG2-CG2 4.22Å; V155-I212 HydrophobicContact CG2-CD1 3.4Å; V155-I212 VanDerWaalsContact CG2-CD1 3.4Å; V155-I212 HydrophobicContact CG2-CG1 4.34Å; T208-I212 HydrophobicContact CG2-CG2 4Å; G210-I212 PolarHBondContact O-N 2.85Å; I212-S214 VanDerWaalsContact C-N 3.29Å; I212-S214 PolarHBondContact O-N 3.2Å; I212-A215 PolarHBondContact O-N 3.32Å; I212-V216 HydrophobicContact CG2-CG2 4.21Å; I212-V216 WeakPolarHBondContact O-CG2 3.21Å; I212-V216 PolarHBondContact O-N 3.46Å
213S86.3Confident84Confident38 Ų3842.5 Ų42.527%0.26626%0.255SS..Hα-helixtrans-61.1-43.1176.6-173.70000110.5T208 G210 W211 D217T208-S213 VanDerWaalsContact OG1-CA 3.32Å; T208-S213 WeakPolarHBondContact OG1-CA 3.47Å; G210-S213 WeakPolarHBondContact O-CB 3.47Å; G210-S213 PolarHBondContact O-N 2.89Å; G210-S213 VanDerWaalsContact O-N 3.09Å; W211-S213 VanDerWaalsContact C-N 3.33Å; W211-S213 PolarHBondContact O-N 3.45Å; S213-D217 VanDerWaalsContact O-CB 3.24Å; S213-D217 WeakPolarHBondContact O-CB 3.43Å; S213-D217 VanDerWaalsContact O-CG 3.23Å; S213-D217 PolarHBondContact O-N 2.86Å
214S83Confident83.2Confident74 Ų7445.6 Ų45.652%0.51728%0.276SS..Hα-helixtrans-64.5-40.8175.6-53.70000112W211 I212 D217 S218W211-S214 WeakPolarHBondContact O-CB 3.4Å; W211-S214 PolarHBondContact O-N 2.83Å; I212-S214 VanDerWaalsContact C-N 3.29Å; I212-S214 PolarHBondContact O-N 3.2Å; S214-D217 PolarHBondContact O-N 2.77Å; S214-S218 WeakPolarHBondContact O-CB 3.28Å; S214-S218 PolarHBondContact O-N 3.24Å; S214-S218 PolarHBondContact O-OG 2.93Å
215A83.3Confident82.5Confident11 Ų1146.7 Ų46.79%0.09128%0.282CS..Hα-helixtrans-65.2-45.2177.400000112.6L188 W211 I212 S218 V219L188-A215 HydrophobicContact CD1-CB 3.91Å; L188-A215 HydrophobicContact CG-CB 4.16Å; W211-A215 PolarHBondContact O-N 3.5Å; I212-A215 PolarHBondContact O-N 3.32Å; A215-S218 PolarHBondContact O-N 3.31Å; A215-V219 WeakPolarHBondContact O-CG2 3.39Å; A215-V219 PolarHBondContact O-N 3.35Å
216V88.1Confident81.8Confident2 Ų247 Ų471%0.01228%0.284CS..Hα-helixtrans-61.1-48175.4171.60000110.2F151 I153 L188 T208 I212 S218 V219 F220 L227F151-V216 HydrophobicContact CE2-CG2 4.42Å; F151-V216 HydrophobicContact CZ-CG1 4.1Å; I153-V216 HydrophobicContact CD1-CG2 3.47Å; I153-V216 VanDerWaalsContact CD1-CG2 3.47Å; L188-V216 HydrophobicContact CD1-CB 4.48Å; L188-V216 HydrophobicContact CD1-CG2 3.61Å; T208-V216 HydrophobicContact CG2-CG2 4.5Å; I212-V216 HydrophobicContact CG2-CG2 4.21Å; I212-V216 WeakPolarHBondContact O-CG2 3.21Å; I212-V216 PolarHBondContact O-N 3.46Å; V216-S218 VanDerWaalsContact C-N 3.3Å; V216-S218 PolarHBondContact O-N 3Å; V216-V219 PolarHBondContact O-N 3.27Å; V216-F220 HydrophobicContact CG1-CD2 3.79Å; V216-F220 HydrophobicContact CG1-CE2 4.16Å; V216-F220 WeakPolarHBondContact O-CD2 3.14Å; V216-F220 PolarHBondContact O-N 3.49Å; V216-L227 HydrophobicContact CG1-CD2 3.8Å
217D83.9Confident81.6Confident58 Ų5847.3 Ų47.331%0.3129%0.286SS..Hα-helixtrans-56.7-43.9175.8-83.78.2000111.7S213 S214 F220 R221S213-D217 VanDerWaalsContact O-CB 3.24Å; S213-D217 WeakPolarHBondContact O-CB 3.43Å; S213-D217 VanDerWaalsContact O-CG 3.23Å; S213-D217 PolarHBondContact O-N 2.86Å; S214-D217 PolarHBondContact O-N 2.77Å; D217-F220 PolarHBondContact O-N 3.44Å; D217-R221 WeakPolarHBondContact O-CB 3.4Å; D217-R221 WeakPolarHBondContact O-CG 3.43Å; D217-R221 PolarHBondContact O-N 3.26Å; D217-R221 PolarHBondContact O-NE 2.85Å; D217-R221 IonicContact OD2-NH2 3.8Å; D217-R221 PolarHBondContact OD2-NH2 2.76Å
218S78.1Confident81.6Confident62 Ų6244.3 Ų44.343%0.43426%0.259SS..Hα-helixtrans-60.9-45.2176.4-68.80000111.9S214 A215 V216 L222S214-S218 WeakPolarHBondContact O-CB 3.28Å; S214-S218 PolarHBondContact O-N 3.24Å; S214-S218 PolarHBondContact O-OG 2.93Å; A215-S218 PolarHBondContact O-N 3.31Å; V216-S218 VanDerWaalsContact C-N 3.3Å; V216-S218 PolarHBondContact O-N 3Å; S218-L222 VanDerWaalsContact O-CG 3.31Å; S218-L222 WeakPolarHBondContact O-CG 3.31Å; S218-L222 PolarHBondContact O-N 3.26Å
219V82.3Confident81.8Confident3 Ų346.1 Ų46.12%0.01827%0.267CS..Hα-helixtrans-62.1-50.1177.3172.10000111.3L188 Q192 L195 A215 V216 R221 L222 I223L188-V219 HydrophobicContact CB-CG2 3.94Å; Q192-V219 HydrophobicContact CB-CG1 4.05Å; Q192-V219 HydrophobicContact CB-CG2 4.43Å; Q192-V219 HydrophobicContact CG-CG1 4.37Å; L195-V219 HydrophobicContact CD1-CG1 4.19Å; A215-V219 WeakPolarHBondContact O-CG2 3.39Å; A215-V219 PolarHBondContact O-N 3.35Å; V216-V219 PolarHBondContact O-N 3.27Å; V219-R221 VanDerWaalsContact C-N 3.34Å; V219-R221 PolarHBondContact O-N 2.99Å; V219-L222 WeakPolarHBondContact O-CB 3.43Å; V219-L222 PolarHBondContact O-N 3.14Å; V219-L222 VanDerWaalsContact O-N 3.1Å; V219-I223 HydrophobicContact CG1-CD1 3.62Å; V219-I223 HydrophobicContact CG1-CG1 4.36Å; V219-I223 WeakPolarHBondContact O-CG1 3.14Å; V219-I223 PolarHBondContact O-N 3.46Å
220F84.6Confident82.1Confident16 Ų1641.2 Ų41.27%0.0724%0.236CC..Hα-helixtrans-71.1-30.1-177.7-83.2-86.2000113F151 L195 C203 V216 D217 L222 S224 I225 L227F151-F220 HydrophobicContact CD1-CZ 4.3Å; F151-F220 AromaticContact CE1-CE2 3.48Å; F151-F220 HydrophobicContact CE1-CE2 3.48Å; F151-F220 VanDerWaalsContact CE1-CE2 3.48Å; F151-F220 AromaticContact CE1-CZ 3.41Å; F151-F220 HydrophobicContact CE1-CZ 3.41Å; F151-F220 VanDerWaalsContact CE1-CZ 3.41Å; F151-F220 HydrophobicContact CZ-CD2 4.48Å; F151-F220 AromaticContact CZ-CE2 3.47Å; F151-F220 HydrophobicContact CZ-CE2 3.47Å; F151-F220 VanDerWaalsContact CZ-CE2 3.47Å; F151-F220 AromaticContact CZ-CZ 3.93Å; F151-F220 HydrophobicContact CZ-CZ 3.93Å; L195-F220 HydrophobicContact CD1-CE1 4.13Å; L195-F220 HydrophobicContact CD1-CE2 3.87Å; L195-F220 HydrophobicContact CD1-CZ 3.5Å; L195-F220 VanDerWaalsContact CD1-CZ 3.5Å; C203-F220 HydrophobicContact CB-CE1 3.37Å; C203-F220 HydrophobicContact CB-CZ 3.47Å; C203-F220 VanDerWaalsContact CB-CZ 3.47Å; C203-F220 VanDerWaalsContact SG-CE1 3.59Å; V216-F220 HydrophobicContact CG1-CD2 3.79Å; V216-F220 HydrophobicContact CG1-CE2 4.16Å; V216-F220 WeakPolarHBondContact O-CD2 3.14Å; V216-F220 PolarHBondContact O-N 3.49Å; D217-F220 PolarHBondContact O-N 3.44Å; F220-L222 VanDerWaalsContact C-N 3.32Å; F220-S224 PolarHBondContact O-N 3.25Å; F220-I225 WeakPolarHBondContact CD1-O 3.14Å; F220-I225 HydrophobicContact CE1-CB 4.47Å; F220-I225 HydrophobicContact CE1-CG2 4.48Å; F220-L227 HydrophobicContact CD1-CB 3.86Å; F220-L227 HydrophobicContact CD1-CD1 4.21Å; F220-L227 HydrophobicContact CD1-CD2 4.49Å; F220-L227 HydrophobicContact CD1-CG 4.41Å; F220-L227 HydrophobicContact CD2-CD1 4.32Å; F220-L227 HydrophobicContact CD2-CD2 3.96Å; F220-L227 HydrophobicContact CE1-CB 4.23Å; F220-L227 HydrophobicContact CE1-CD1 3.85Å; F220-L227 HydrophobicContact CE2-CD1 3.96Å; F220-L227 HydrophobicContact CE2-CD2 4.34Å; F220-L227 HydrophobicContact CG-CB 4.15Å; F220-L227 HydrophobicContact CG-CD1 4.44Å; F220-L227 HydrophobicContact CG-CD2 4.04Å; F220-L227 HydrophobicContact CG-CG 4.45Å; F220-L227 HydrophobicContact CZ-CD1 3.71Å
221R70.9Confident82.5Confident104 Ų10445.9 Ų45.939%0.39224%0.24SC..Hα-helixtrans-65.1-35.3168.4-76.7176.7-134.6-137.92.5112D217 V219 K684D217-R221 WeakPolarHBondContact O-CB 3.4Å; D217-R221 WeakPolarHBondContact O-CG 3.43Å; D217-R221 PolarHBondContact O-N 3.26Å; D217-R221 PolarHBondContact O-NE 2.85Å; D217-R221 IonicContact OD2-NH2 3.8Å; D217-R221 PolarHBondContact OD2-NH2 2.76Å; V219-R221 VanDerWaalsContact C-N 3.34Å; V219-R221 PolarHBondContact O-N 2.99Å; R221-K684 HydrophobicContact CB-CD 4.27Å; R221-K684 WeakPolarHBondContact O-CE 3.29Å; R221-K684 PolarHBondContact O-NZ 2.8Å
222L66.8Low82.9Confident50 Ų5045.8 Ų45.826%0.26225%0.245SC..Hα-helixtrans-70-56.5175.4-73.7164.7000110.1S218 V219 F220 S224 Y307S218-L222 VanDerWaalsContact O-CG 3.31Å; S218-L222 WeakPolarHBondContact O-CG 3.31Å; S218-L222 PolarHBondContact O-N 3.26Å; V219-L222 WeakPolarHBondContact O-CB 3.43Å; V219-L222 PolarHBondContact O-N 3.14Å; V219-L222 VanDerWaalsContact O-N 3.1Å; F220-L222 VanDerWaalsContact C-N 3.32Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.39Å; L222-S224 PolarHBondContact O-OG 3.49Å; L222-Y307 HydrophobicContact CB-CD1 4.28Å; L222-Y307 HydrophobicContact CB-CG 4.49Å; L222-Y307 WeakPolarHBondContact O-CE1 3.44Å; L222-Y307 WeakPolarHBondContact O-CE2 3.11Å; L222-Y307 PolarHBondContact O-OH 3.43Å
223I74Confident83.1Confident15 Ų1549.5 Ų49.58%0.07727%0.265CS..Hα-helixtrans-72.3-18.8-169.7-47.7169.5000113.4Q192 L195 V196 V219 I225 Y307Q192-I223 HydrophobicContact CB-CD1 4.4Å; Q192-I223 HydrophobicContact CG-CD1 3.89Å; Q192-I223 HydrophobicContact CG-CG1 4.13Å; L195-I223 HydrophobicContact CB-CD1 3.62Å; L195-I223 HydrophobicContact CD1-CD1 3.84Å; L195-I223 HydrophobicContact CG-CD1 4.38Å; V196-I223 HydrophobicContact CG2-CD1 4.34Å; V196-I223 HydrophobicContact CG2-CG1 4.31Å; V196-I223 HydrophobicContact CG2-CG2 4.25Å; V219-I223 HydrophobicContact CG1-CD1 3.62Å; V219-I223 HydrophobicContact CG1-CG1 4.36Å; V219-I223 WeakPolarHBondContact O-CG1 3.14Å; V219-I223 PolarHBondContact O-N 3.46Å; I223-I225 VanDerWaalsContact C-N 3.27Å; I223-I225 HydrophobicContact CB-CD1 4.35Å; I223-I225 HydrophobicContact CB-CG1 4.45Å; I223-I225 HydrophobicContact CG2-CD1 3.39Å; I223-I225 HydrophobicContact CG2-CG1 3.78Å; I223-I225 PolarHBondContact O-N 3.38Å; I223-Y307 VanDerWaalsContact CA-CE2 3.41Å; I223-Y307 HydrophobicContact CB-CD2 4.15Å; I223-Y307 HydrophobicContact CB-CE2 4.33Å; I223-Y307 HydrophobicContact CG1-CD2 4.1Å; I223-Y307 HydrophobicContact CG2-CD2 4.12Å; I223-Y307 HydrophobicContact CG2-CE2 4.27Å
224S76Confident83.3Confident64 Ų6450.1 Ų50.145%0.44826%0.264SS..THydrogen-bonded Turntrans60.832.1179.8-53.30000114Q103 F220 L222Q103-S224 PolarHBondContact OE1-O 2.91Å; F220-S224 PolarHBondContact O-N 3.25Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.39Å; L222-S224 PolarHBondContact O-OG 3.49Å
225I79.4Confident83.7Confident23 Ų2346.7 Ų46.712%0.11824%0.24CC..  trans-98.3136.8174.7-65.1171.1000109.2P200 F220 I223 L227P200-I225 HydrophobicContact CG-CD1 3.94Å; P200-I225 HydrophobicContact CG-CG2 4.42Å; F220-I225 WeakPolarHBondContact CD1-O 3.14Å; F220-I225 HydrophobicContact CE1-CB 4.47Å; F220-I225 HydrophobicContact CE1-CG2 4.48Å; I223-I225 VanDerWaalsContact C-N 3.27Å; I223-I225 HydrophobicContact CB-CD1 4.35Å; I223-I225 HydrophobicContact CB-CG1 4.45Å; I223-I225 HydrophobicContact CG2-CD1 3.39Å; I223-I225 HydrophobicContact CG2-CG1 3.78Å; I223-I225 PolarHBondContact O-N 3.38Å; I225-L227 PolarHBondContact O-N 3.49Å
226P80.5Confident84.1Confident8 Ų850 Ų505%0.05226%0.255CS..  trans-57.8131.7174.1-24.232.8000112.9Q103 P126 R201 E202 C203Q103-P226 HydrophobicContact CB-CG 4.17Å; P126-P226 HydrophobicContact CG-CG 4.22Å; R201-P226 WeakPolarHBondContact O-CD 3.3Å; E202-P226 HydrophobicContact CG-CB 4.39Å; C203-P226 PolarHBondContact N-O 3.31Å
227L88.2Confident84.2Confident24 Ų2452 Ų5213%0.12627%0.27CS..EExtended strand (participates in β ladder)trans-110.3124.9175.3-174.662.6000110.9R105 F151 C203 T205 V216 F220 I225 I229R105-L227 PolarHBondContact NH2-O 3.45Å; F151-L227 HydrophobicContact CE1-CD1 3.75Å; F151-L227 HydrophobicContact CZ-CD1 4.07Å; C203-L227 HydrophobicContact CB-CD1 3.9Å; C203-L227 CarbonylContact O-C 3.51Å; C203-L227 WeakPolarHBondContact O-CA 3.37Å; T205-L227 HydrophobicContact CG2-CD1 3.65Å; T205-L227 HydrophobicContact CG2-CD2 4.18Å; T205-L227 HydrophobicContact CG2-CG 4.16Å; V216-L227 HydrophobicContact CG1-CD2 3.8Å; F220-L227 HydrophobicContact CD1-CB 3.86Å; F220-L227 HydrophobicContact CD1-CD1 4.21Å; F220-L227 HydrophobicContact CD1-CD2 4.49Å; F220-L227 HydrophobicContact CD1-CG 4.41Å; F220-L227 HydrophobicContact CD2-CD1 4.32Å; F220-L227 HydrophobicContact CD2-CD2 3.96Å; F220-L227 HydrophobicContact CE1-CB 4.23Å; F220-L227 HydrophobicContact CE1-CD1 3.85Å; F220-L227 HydrophobicContact CE2-CD1 3.96Å; F220-L227 HydrophobicContact CE2-CD2 4.34Å; F220-L227 HydrophobicContact CG-CB 4.15Å; F220-L227 HydrophobicContact CG-CD1 4.44Å; F220-L227 HydrophobicContact CG-CD2 4.04Å; F220-L227 HydrophobicContact CG-CG 4.45Å; F220-L227 HydrophobicContact CZ-CD1 3.71Å; I225-L227 PolarHBondContact O-N 3.49Å; L227-I229 HydrophobicContact CD2-CD1 4.18Å; L227-I229 HydrophobicContact CG-CD1 4.22Å
228T87.8Confident84.4Confident15 Ų1553.7 Ų53.79%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-111.2114.8179.6-62.70000110.2R105 E202 C203 I204 T205 V230 Y279R105-T228 PolarHBondContact NH2-OG1 2.86Å; E202-T228 PolarHBondContact OE1-OG1 3.05Å; C203-T228 PolarHBondContact O-N 3.28Å; I204-T228 WeakPolarHBondContact CA-O 3.49Å; T205-T228 PolarHBondContact N-O 3.24Å; T228-V230 HydrophobicContact CG2-CG1 4.14Å; T228-Y279 HydrophobicContact CG2-CE2 3.91Å
229I90.3Very high84.9Confident75 Ų7554 Ų5439%0.38528%0.283SS..EExtended strand (participates in β ladder)trans-84119175.7-54.6-56.9000109T205 A207 L227T205-I229 HydrophobicContact CG2-CD1 3.52Å; T205-I229 WeakPolarHBondContact O-CA 3.43Å; A207-I229 HydrophobicContact CB-CG2 3.88Å; L227-I229 HydrophobicContact CD2-CD1 4.18Å; L227-I229 HydrophobicContact CG-CD1 4.22Å
230V90.1Very high85.2Confident15 Ų1554 Ų549%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-109.8163.8178.3-62.80000111.9I204 T205 T228 Q234 F235 Y279I204-V230 HydrophobicContact CG2-CB 4.1Å; I204-V230 HydrophobicContact CG2-CG1 3.49Å; I204-V230 VanDerWaalsContact CG2-CG1 3.49Å; I204-V230 HydrophobicContact CG2-CG2 3.45Å; I204-V230 VanDerWaalsContact CG2-CG2 3.45Å; T205-V230 PolarHBondContact O-N 3.1Å; T228-V230 HydrophobicContact CG2-CG1 4.14Å; V230-Q234 HydrophobicContact CB-CB 4.38Å; V230-Q234 HydrophobicContact CB-CG 4.32Å; V230-Q234 VanDerWaalsContact CB-OE1 3.3Å; V230-Q234 VanDerWaalsContact CG1-OE1 3.26Å; V230-Q234 HydrophobicContact CG2-CB 4.13Å; V230-F235 HydrophobicContact CG2-CD2 3.9Å; V230-F235 HydrophobicContact CG2-CE2 3.42Å; V230-F235 VanDerWaalsContact CG2-CE2 3.42Å; V230-Y279 HydrophobicContact CG1-CD2 4.26Å
231K91.5Very high85.4Confident157 Ų15759.2 Ų59.268%0.68330%0.302SS*.  trans-71.6149.4179-65.7-179.8-177.9179.90110.9N233 Q234K231-N233 WeakPolarHBondContact CB-OD1 3.42Å; K231-N233 PolarHBondContact O-N 2.87Å; K231-N233 VanDerWaalsContact O-N 3.12Å; K231-Q234 WeakPolarHBondContact O-CB 3.42Å; K231-Q234 PolarHBondContact O-N 3.41Å
232Q89.5Confident86.3Confident120 Ų12057.2 Ų57.256%0.56130%0.304SS*.G310 helixtrans-51.6-37.7-179.8-171.86721.400113.8L206 Q234 F235L206-Q232 HydrophobicContact CD2-CB 4.49Å; Q232-Q234 PolarHBondContact O-N 2.91Å; Q232-F235 PolarHBondContact O-N 3.21Å; Q232-F235 VanDerWaalsContact O-N 3.08Å
233N91.1Very high87.4Confident106 Ų10655.9 Ų55.957%0.56730%0.297SS*.G310 helixtrans-62.2-23.3179.766.8-19.7000113.4K231 F235 D236K231-N233 WeakPolarHBondContact CB-OD1 3.42Å; K231-N233 PolarHBondContact O-N 2.87Å; K231-N233 VanDerWaalsContact O-N 3.12Å; N233-F235 VanDerWaalsContact C-N 3.26Å; N233-F235 PolarHBondContact O-N 2.74Å; N233-D236 WeakPolarHBondContact O-CB 3.4Å; N233-D236 PolarHBondContact O-N 2.96Å
234Q89.8Confident88.1Confident50 Ų5055.2 Ų55.223%0.23429%0.293CS..G310 helixtrans-70.2-24.6176.4-63.8-165.214.200112.5V230 K231 Q232 A274 A275 R278V230-Q234 HydrophobicContact CB-CB 4.38Å; V230-Q234 HydrophobicContact CB-CG 4.32Å; V230-Q234 VanDerWaalsContact CB-OE1 3.3Å; V230-Q234 VanDerWaalsContact CG1-OE1 3.26Å; V230-Q234 HydrophobicContact CG2-CB 4.13Å; K231-Q234 WeakPolarHBondContact O-CB 3.42Å; K231-Q234 PolarHBondContact O-N 3.41Å; Q232-Q234 PolarHBondContact O-N 2.91Å; Q234-A274 CarbonylContact O-C 3.56Å; Q234-A275 WeakPolarHBondContact O-CA 3.25Å; Q234-A275 PolarHBondContact O-N 2.83Å; Q234-A275 VanDerWaalsContact O-N 3.16Å; Q234-R278 PolarHBondContact O-NH1 3.11Å
235F92.5Very high88.8Confident3 Ų354.5 Ų54.51%0.01329%0.285CS..G310 helixtrans-90.62.7176.4-80.9-99.2000113.3A150 K152 L206 V230 Q232 N233 S237 Q271 C272 A275A150-F235 HydrophobicContact CB-CE1 4.44Å; A150-F235 HydrophobicContact CB-CZ 4.31Å; K152-F235 HydrophobicContact CB-CD1 4.45Å; K152-F235 HydrophobicContact CB-CE1 4.12Å; K152-F235 HydrophobicContact CD-CD1 4.18Å; L206-F235 HydrophobicContact CD1-CB 4.39Å; L206-F235 HydrophobicContact CD1-CD2 4.07Å; L206-F235 HydrophobicContact CD1-CE2 4.46Å; L206-F235 HydrophobicContact CD1-CG 4.09Å; L206-F235 HydrophobicContact CD2-CD2 3.4Å; L206-F235 VanDerWaalsContact CD2-CD2 3.4Å; L206-F235 HydrophobicContact CD2-CE2 3.78Å; L206-F235 HydrophobicContact CD2-CG 4.18Å; L206-F235 HydrophobicContact CG-CD2 3.59Å; L206-F235 HydrophobicContact CG-CE2 3.67Å; L206-F235 HydrophobicContact CG-CG 4.13Å; L206-F235 HydrophobicContact CG-CZ 4.3Å; V230-F235 HydrophobicContact CG2-CD2 3.9Å; V230-F235 HydrophobicContact CG2-CE2 3.42Å; V230-F235 VanDerWaalsContact CG2-CE2 3.42Å; Q232-F235 PolarHBondContact O-N 3.21Å; Q232-F235 VanDerWaalsContact O-N 3.08Å; N233-F235 VanDerWaalsContact C-N 3.26Å; N233-F235 PolarHBondContact O-N 2.74Å; F235-S237 PolarHBondContact O-N 3.5Å; F235-Q271 HydrophobicContact CD1-CB 4.3Å; F235-Q271 WeakPolarHBondContact CD1-O 3.49Å; F235-Q271 VanDerWaalsContact O-CB 3.31Å; F235-Q271 WeakPolarHBondContact O-CB 3.38Å; F235-Q271 WeakPolarHBondContact O-CG 3.4Å; F235-C272 HydrophobicContact CE1-CB 4.32Å; F235-A275 HydrophobicContact CD1-CB 3.84Å; F235-A275 HydrophobicContact CD2-CB 3.67Å; F235-A275 HydrophobicContact CE1-CB 3.76Å; F235-A275 HydrophobicContact CE2-CB 3.61Å; F235-A275 HydrophobicContact CG-CB 3.81Å; F235-A275 HydrophobicContact CZ-CB 3.65Å
236D91.6Very high89.2Confident79 Ų7960.3 Ų60.342%0.42231%0.305SS..  trans-64.7131176.2-175.611.6000110.3N233 S238 A274 R278N233-D236 WeakPolarHBondContact O-CB 3.4Å; N233-D236 PolarHBondContact O-N 2.96Å; D236-S238 VanDerWaalsContact CG-OG 3.26Å; D236-S238 WeakPolarHBondContact OD1-CB 2.98Å; D236-S238 PolarHBondContact OD1-N 2.86Å; D236-S238 PolarHBondContact OD1-OG 3.15Å; D236-S238 PolarHBondContact OD2-OG 2.76Å; D236-A274 VanDerWaalsContact O-CB 3.3Å; D236-A274 WeakPolarHBondContact O-CB 3.47Å; D236-R278 PolarHBondContact O-NH1 3.04Å; D236-R278 PolarHBondContact O-NH2 3.22Å
237S89.2Confident89.7Confident46 Ų4659.9 Ų59.932%0.32230%0.303SS..  trans-104.84.8-178.957.60000113.3F235 D239 L240F235-S237 PolarHBondContact O-N 3.5Å; S237-D239 VanDerWaalsContact C-N 3.34Å; S237-D239 PolarHBondContact O-N 3.4Å; S237-L240 VanDerWaalsContact O-CB 3.25Å; S237-L240 WeakPolarHBondContact O-CB 3.22Å; S237-L240 PolarHBondContact O-N 2.95Å; S237-L240 VanDerWaalsContact O-N 3.07Å
238S87.8Confident89.7Confident93 Ų9358.9 Ų58.965%0.6530%0.297SS*.THydrogen-bonded Turntrans-54.9-41-174.561.80000114.6D236D236-S238 VanDerWaalsContact CG-OG 3.26Å; D236-S238 WeakPolarHBondContact OD1-CB 2.98Å; D236-S238 PolarHBondContact OD1-N 2.86Å; D236-S238 PolarHBondContact OD1-OG 3.15Å; D236-S238 PolarHBondContact OD2-OG 2.76Å
239D89.7Confident89.5Confident69 Ų6962.7 Ų62.737%0.36931%0.312SS..THydrogen-bonded Turntrans-97.7-4.1178.264.3-7.5000113.7S237 R241 S242 I243 R278S237-D239 VanDerWaalsContact C-N 3.34Å; S237-D239 PolarHBondContact O-N 3.4Å; D239-R241 PolarHBondContact O-N 3.34Å; D239-R241 VanDerWaalsContact O-N 3.17Å; D239-S242 PolarHBondContact O-N 3.17Å; D239-S242 VanDerWaalsContact O-N 3.11Å; D239-I243 HydrophobicContact CB-CD1 4.31Å; D239-I243 PolarHBondContact O-N 3.39Å; D239-R278 IonicContact OD1-CZ 3.79Å; D239-R278 IonicContact OD1-NH2 2.6Å; D239-R278 PolarHBondContact OD1-NH2 3.12Å; D239-R278 IonicContact OD2-NH2 3.84Å
240L88.3Confident89Confident2 Ų260.8 Ų60.81%0.0130%0.302CS..Hα-helixtrans-59.5-35.6-171.3-177.266.4000112.1S237 S242 I243 L244 M270 V273 A274S237-L240 VanDerWaalsContact O-CB 3.25Å; S237-L240 WeakPolarHBondContact O-CB 3.22Å; S237-L240 PolarHBondContact O-N 2.95Å; S237-L240 VanDerWaalsContact O-N 3.07Å; L240-S242 PolarHBondContact O-N 2.79Å; L240-I243 WeakPolarHBondContact O-CB 3.33Å; L240-I243 PolarHBondContact O-N 3.04Å; L240-I243 VanDerWaalsContact O-N 3.1Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD1-CD2 4.32Å; L240-L244 HydrophobicContact CD1-CG 3.86Å; L240-L244 HydrophobicContact CD2-CD1 4.06Å; L240-L244 HydrophobicContact CG-CD1 3.81Å; L240-L244 HydrophobicContact CG-CG 3.91Å; L240-L244 WeakPolarHBondContact O-CB 3.38Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.25Å; L240-M270 HydrophobicContact CD2-CB 3.74Å; L240-M270 HydrophobicContact CD2-CG 4.41Å; L240-M270 WeakPolarHBondContact CD2-O 3.24Å; L240-M270 HydrophobicContact CD2-SD 4.34Å; L240-V273 HydrophobicContact CD1-CG1 4.34Å; L240-A274 HydrophobicContact CB-CB 4.46Å; L240-A274 HydrophobicContact CD1-CB 3.89Å; L240-A274 HydrophobicContact CD2-CB 4.17Å; L240-A274 HydrophobicContact CG-CB 4.39Å
241R88.8Confident88.2Confident126 Ų12668.5 Ų68.548%0.47533%0.334SS..Hα-helixtrans-56.4-49.6178-170.4180-64.2-146.6-1.9111.6D239 I243 L244 D245 C258 D259 F264D239-R241 PolarHBondContact O-N 3.34Å; D239-R241 VanDerWaalsContact O-N 3.17Å; R241-I243 VanDerWaalsContact C-N 3.26Å; R241-I243 PolarHBondContact O-N 3.27Å; R241-L244 PolarHBondContact O-N 2.61Å; R241-D245 WeakPolarHBondContact O-CB 3.38Å; R241-D245 VanDerWaalsContact O-CG 3.25Å; R241-D245 PolarHBondContact O-N 3.27Å; R241-C258 VanDerWaalsContact CG-SG 3.6Å; R241-D259 VanDerWaalsContact CD-OD1 3.3Å; R241-D259 WeakPolarHBondContact CD-OD1 3.3Å; R241-D259 WeakPolarHBondContact CD-OD2 3.36Å; R241-D259 IonicContact CZ-OD1 3.54Å; R241-D259 IonicContact CZ-OD2 3.78Å; R241-D259 VanDerWaalsContact CZ-OD2 3.3Å; R241-D259 IonicContact NE-OD1 3.3Å; R241-D259 PolarHBondContact NE-OD1 3.42Å; R241-D259 IonicContact NE-OD2 2.65Å; R241-D259 IonicContact NH1-OD1 2.62Å; R241-D259 PolarHBondContact NH1-OD1 3.1Å; R241-D259 VanDerWaalsContact NH1-OD1 3.13Å; R241-D259 IonicContact NH1-OD2 3.74Å; R241-D259 PolarHBondContact NH1-OD2 3.21Å; R241-D259 IonicContact NH2-OD1 2.93Å; R241-D259 PolarHBondContact NH2-OD1 3.24Å; R241-F264 HydrophobicContact CB-CZ 4.25Å; R241-F264 HydrophobicContact CG-CZ 4.41Å
242S88.6Confident87.1Confident62 Ų6271.7 Ų71.743%0.43435%0.348SS..Hα-helixtrans-68.2-27.6177.9-179.60000112.6D239 L240 R246D239-S242 PolarHBondContact O-N 3.17Å; D239-S242 VanDerWaalsContact O-N 3.11Å; L240-S242 PolarHBondContact O-N 2.79Å; S242-R246 WeakPolarHBondContact O-CG 3.16Å
243I89.9Confident85.8Confident22 Ų2270.1 Ų70.111%0.11336%0.364CS..Hα-helixtrans-74.5-48.8178-69.9168.5000110.1D239 L240 R241 D245 R246 L247 V277 M283D239-I243 HydrophobicContact CB-CD1 4.31Å; D239-I243 PolarHBondContact O-N 3.39Å; L240-I243 WeakPolarHBondContact O-CB 3.33Å; L240-I243 PolarHBondContact O-N 3.04Å; L240-I243 VanDerWaalsContact O-N 3.1Å; R241-I243 VanDerWaalsContact C-N 3.26Å; R241-I243 PolarHBondContact O-N 3.27Å; I243-D245 PolarHBondContact O-N 2.92Å; I243-R246 WeakPolarHBondContact O-CB 3.46Å; I243-R246 PolarHBondContact O-N 3.03Å; I243-L247 HydrophobicContact CG2-CD1 3.8Å; I243-L247 HydrophobicContact CG2-CG 4.42Å; I243-L247 PolarHBondContact O-N 3.47Å; I243-V277 HydrophobicContact CG2-CG1 3.67Å; I243-M283 HydrophobicContact CG2-CG 3.81Å; I243-M283 HydrophobicContact CG2-SD 3.79Å
244L90.4Very high84.8Confident0 Ų068 Ų680%036%0.357CS..Hα-helixtrans-65.3-36.1178.9-71.6-178000112.4F177 L240 R241 R246 L247 L248 C258 F264 M270 V273F177-L244 HydrophobicContact CE2-CD2 4.44Å; L240-L244 HydrophobicContact CD1-CD1 4.17Å; L240-L244 HydrophobicContact CD1-CD2 4.32Å; L240-L244 HydrophobicContact CD1-CG 3.86Å; L240-L244 HydrophobicContact CD2-CD1 4.06Å; L240-L244 HydrophobicContact CG-CD1 3.81Å; L240-L244 HydrophobicContact CG-CG 3.91Å; L240-L244 WeakPolarHBondContact O-CB 3.38Å; L240-L244 WeakPolarHBondContact O-CG 3.38Å; L240-L244 PolarHBondContact O-N 3.25Å; R241-L244 PolarHBondContact O-N 2.61Å; L244-R246 PolarHBondContact O-N 2.95Å; L244-R246 VanDerWaalsContact O-N 3.11Å; L244-L247 PolarHBondContact O-N 2.89Å; L244-L248 HydrophobicContact CB-CD1 3.93Å; L244-L248 HydrophobicContact CB-CG 4.14Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CD2-CD2 4.44Å; L244-L248 HydrophobicContact CD2-CG 4.23Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 VanDerWaalsContact O-CG 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 3.19Å; L244-C258 HydrophobicContact CB-CB 4Å; L244-F264 HydrophobicContact CD1-CD2 4.11Å; L244-F264 HydrophobicContact CD1-CE2 3.97Å; L244-M270 HydrophobicContact CD1-SD 4.19Å; L244-V273 HydrophobicContact CD2-CG1 4.05Å
245D89Confident83.6Confident49 Ų4969 Ų6926%0.26238%0.375SS..Hα-helixtrans-59.9-22.7173.7-74.3-7.3000113R241 I243 R257 C258R241-D245 WeakPolarHBondContact O-CB 3.38Å; R241-D245 VanDerWaalsContact O-CG 3.25Å; R241-D245 PolarHBondContact O-N 3.27Å; I243-D245 PolarHBondContact O-N 2.92Å; D245-R257 WeakPolarHBondContact OD1-CA 3.46Å; D245-C258 PolarHBondContact OD1-N 3.44Å; D245-C258 PolarHBondContact OD1-SG 2.8Å
246R88.5Confident82.7Confident145 Ų14573.2 Ų73.255%0.54740%0.397SS..Hα-helixtrans-92.4-36176.1-64.5176-175.1-169.45.5113.1S242 I243 L244 M283 M289 R290S242-R246 WeakPolarHBondContact O-CG 3.16Å; I243-R246 WeakPolarHBondContact O-CB 3.46Å; I243-R246 PolarHBondContact O-N 3.03Å; L244-R246 PolarHBondContact O-N 2.95Å; L244-R246 VanDerWaalsContact O-N 3.11Å; R246-M283 HydrophobicContact CB-CE 4.21Å; R246-M289 HydrophobicContact CB-SD 4.01Å; R246-M289 CarbonylContact O-C 3.57Å; R246-M289 WeakPolarHBondContact O-CA 3.31Å; R246-R290 PolarHBondContact O-N 3.11Å
247L90.2Very high82.1Confident0 Ų076.9 Ų76.90%041%0.405CS..Hα-helixtrans-82.2-38-178.8-68.3176.7000113I243 L244 V277 L282 M283 N288 M289 R290 Q291 F292I243-L247 HydrophobicContact CG2-CD1 3.8Å; I243-L247 HydrophobicContact CG2-CG 4.42Å; I243-L247 PolarHBondContact O-N 3.47Å; L244-L247 PolarHBondContact O-N 2.89Å; L247-V277 HydrophobicContact CD1-CG1 3.86Å; L247-V277 HydrophobicContact CD1-CG2 3.98Å; L247-L282 HydrophobicContact CD1-CB 4.36Å; L247-L282 HydrophobicContact CD2-CB 4.41Å; L247-M283 HydrophobicContact CD1-SD 4.06Å; L247-M283 HydrophobicContact CD2-SD 3.79Å; L247-M283 HydrophobicContact CG-SD 3.7Å; L247-N288 HydrophobicContact CD2-CB 3.96Å; L247-M289 HydrophobicContact CD2-SD 4.28Å; L247-R290 CarbonylContact O-C 3.58Å; L247-R290 VanDerWaalsContact O-CA 3.27Å; L247-R290 WeakPolarHBondContact O-CA 3.14Å; L247-R290 PolarHBondContact O-N 3.28Å; L247-Q291 PolarHBondContact O-N 2.97Å; L247-F292 PolarHBondContact O-N 3.02Å
248L89.3Confident81.7Confident2 Ų274.7 Ų74.71%0.0139%0.39CS..BIsolated β-bridgetrans-76.7141.4-172.8-64.3-179.1000112.1F177 L244 F250 C258 L261 F292 L294F177-L248 HydrophobicContact CD2-CD2 4.27Å; L244-L248 HydrophobicContact CB-CD1 3.93Å; L244-L248 HydrophobicContact CB-CG 4.14Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CD2-CD2 4.44Å; L244-L248 HydrophobicContact CD2-CG 4.23Å; L244-L248 WeakPolarHBondContact O-CB 3.34Å; L244-L248 VanDerWaalsContact O-CG 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.38Å; L244-L248 PolarHBondContact O-N 3.19Å; L248-F250 HydrophobicContact CB-CE1 4.42Å; L248-F250 HydrophobicContact CB-CE2 4.07Å; L248-F250 HydrophobicContact CB-CZ 3.92Å; L248-F250 HydrophobicContact CD1-CZ 4.36Å; L248-C258 HydrophobicContact CD1-CB 3.96Å; L248-L261 HydrophobicContact CD1-CD1 3.82Å; L248-F292 CarbonylContact C-O 3.57Å; L248-F292 VanDerWaalsContact CA-O 3.31Å; L248-F292 WeakPolarHBondContact CA-O 3.38Å; L248-F292 HydrophobicContact CD2-CB 4.05Å; L248-L294 HydrophobicContact CD1-CB 4.26Å; L248-L294 HydrophobicContact CD1-CD2 4.5Å; L248-L294 HydrophobicContact CD2-CB 4Å
249K82.9Confident81.4Confident95 Ų9572.9 Ų72.941%0.41337%0.373SS..  trans-90.7114.4170.4-169.2-177.8176.8-170.50109.6R290 F292 E554K249-R290 WeakPolarHBondContact CB-O 3.45Å; K249-F292 PolarHBondContact N-O 3.34Å; K249-E554 IonicContact NZ-OE1 3.56Å; K249-E554 PolarHBondContact NZ-OE1 3Å; K249-E554 IonicContact NZ-OE2 2.86Å; K249-E554 PolarHBondContact NZ-OE2 3.48Å
250F81.4Confident81Confident36 Ų3673.4 Ų73.416%0.15839%0.386CS..PPolyproline II helixtrans-91146.9176-61.1-79000111.7L248 N256 R257 C258 L261L248-F250 HydrophobicContact CB-CE1 4.42Å; L248-F250 HydrophobicContact CB-CE2 4.07Å; L248-F250 HydrophobicContact CB-CZ 3.92Å; L248-F250 HydrophobicContact CD1-CZ 4.36Å; F250-N256 WeakPolarHBondContact CB-OD1 3.25Å; F250-N256 HydrophobicContact CD2-CB 3.98Å; F250-N256 HydrophobicContact CE2-CB 4.47Å; F250-N256 HydrophobicContact CG-CB 4.42Å; F250-R257 VanDerWaalsContact CE1-O 3.29Å; F250-R257 WeakPolarHBondContact CE1-O 3.39Å; F250-R257 VanDerWaalsContact CZ-C 3.47Å; F250-C258 HydrophobicContact CZ-CB 4.3Å; F250-L261 HydrophobicContact CE1-CD1 4.35Å
251K73.2Confident80.8Confident177 Ų17775.6 Ų75.677%0.7740%0.398SS*.PPolyproline II helixtrans-62.9145173-68.2-177-180178.20109.7G253 S254K251-G253 PolarHBondContact O-N 3.06Å; K251-G253 VanDerWaalsContact O-N 3.16Å; K251-S254 WeakPolarHBondContact O-CB 3.35Å; K251-S254 PolarHBondContact O-N 3.05Å; K251-S254 PolarHBondContact O-OG 2.98Å
252K67.2Low80.6Confident223 Ų22373.9 Ų73.997%0.9740%0.403SS*.THydrogen-bonded Turntrans-56122.8176.3-75.7-175.8177.8177.10109.4
253G63.1Low80.5Confident87 Ų8772.5 Ų72.590%0.89739%0.39SS*.THydrogen-bonded Turntrans99-11.1-179.600000115.4K251K251-G253 PolarHBondContact O-N 3.06Å; K251-G253 VanDerWaalsContact O-N 3.16Å
254S69.9Low80.4Confident61 Ų6172.9 Ų72.943%0.42739%0.391SS..SBendtrans-73.9155.1171-53.80000110.6K251 N256K251-S254 WeakPolarHBondContact O-CB 3.35Å; K251-S254 PolarHBondContact O-N 3.05Å; K251-S254 PolarHBondContact O-OG 2.98Å; S254-N256 PolarHBondContact O-N 3.08Å
255A63.6Low80.2Confident73 Ų7378.8 Ų78.860%0.60342%0.422SS*.  trans-659.8-176.500000115.2R257A255-R257 WeakPolarHBondContact O-CG 3.39Å; A255-R257 PolarHBondContact O-N 2.92Å
256N73.7Confident80.2Confident90 Ų9078.6 Ų78.648%0.48142%0.421SS..SBendtrans48.143.5-171.6-63.4-30.6000112.4F250 S254F250-N256 WeakPolarHBondContact CB-OD1 3.25Å; F250-N256 HydrophobicContact CD2-CB 3.98Å; F250-N256 HydrophobicContact CE2-CB 4.47Å; F250-N256 HydrophobicContact CG-CB 4.42Å; S254-N256 PolarHBondContact O-N 3.08Å
257R79.6Confident80.1Confident157 Ų15778.6 Ų78.659%0.59243%0.427SS*.  trans-130.5128.6-178.4-73.2178.4-171.2-169.11.2110.5D245 F250 A255 D259 A260D245-R257 WeakPolarHBondContact OD1-CA 3.46Å; F250-R257 VanDerWaalsContact CE1-O 3.29Å; F250-R257 WeakPolarHBondContact CE1-O 3.39Å; F250-R257 VanDerWaalsContact CZ-C 3.47Å; A255-R257 WeakPolarHBondContact O-CG 3.39Å; A255-R257 PolarHBondContact O-N 2.92Å; R257-D259 PolarHBondContact O-N 3.1Å; R257-A260 PolarHBondContact O-N 3.06Å
258C81.5Confident80.1Confident0 Ų080.3 Ų80.30%044%0.436CS..G310 helixtrans-62.4-29.4176.357.10000112.7R241 L244 D245 L248 F250 A260 L261 F264R241-C258 VanDerWaalsContact CG-SG 3.6Å; L244-C258 HydrophobicContact CB-CB 4Å; D245-C258 PolarHBondContact OD1-N 3.44Å; D245-C258 PolarHBondContact OD1-SG 2.8Å; L248-C258 HydrophobicContact CD1-CB 3.96Å; F250-C258 HydrophobicContact CZ-CB 4.3Å; C258-A260 PolarHBondContact O-N 3.32Å; C258-L261 VanDerWaalsContact O-CB 3.28Å; C258-L261 WeakPolarHBondContact O-CB 3.33Å; C258-L261 PolarHBondContact O-N 3.34Å; C258-F264 HydrophobicContact CB-CD2 4.22Å; C258-F264 HydrophobicContact CB-CE2 4.48Å
259D80.7Confident80.2Confident55 Ų5580.2 Ų80.229%0.29444%0.436SS..G310 helixtrans-58.7-21.3179.7-57-32.6000114.7R241 R257 L261 F264R241-D259 VanDerWaalsContact CD-OD1 3.3Å; R241-D259 WeakPolarHBondContact CD-OD1 3.3Å; R241-D259 WeakPolarHBondContact CD-OD2 3.36Å; R241-D259 IonicContact CZ-OD1 3.54Å; R241-D259 IonicContact CZ-OD2 3.78Å; R241-D259 VanDerWaalsContact CZ-OD2 3.3Å; R241-D259 IonicContact NE-OD1 3.3Å; R241-D259 PolarHBondContact NE-OD1 3.42Å; R241-D259 IonicContact NE-OD2 2.65Å; R241-D259 IonicContact NH1-OD1 2.62Å; R241-D259 PolarHBondContact NH1-OD1 3.1Å; R241-D259 VanDerWaalsContact NH1-OD1 3.13Å; R241-D259 IonicContact NH1-OD2 3.74Å; R241-D259 PolarHBondContact NH1-OD2 3.21Å; R241-D259 IonicContact NH2-OD1 2.93Å; R241-D259 PolarHBondContact NH2-OD1 3.24Å; R257-D259 PolarHBondContact O-N 3.1Å; D259-L261 VanDerWaalsContact C-N 3.28Å; D259-F264 VanDerWaalsContact OD1-CE1 3.24Å; D259-F264 WeakPolarHBondContact OD1-CE1 3.5Å
260A81.6Confident80.8Confident79 Ų7976 Ų7665%0.65342%0.417SS*.G310 helixtrans-79.9-12177.800000112.8R257 C258R257-A260 PolarHBondContact O-N 3.06Å; C258-A260 PolarHBondContact O-N 3.32Å
261L84.1Confident81.4Confident49 Ų4975.9 Ų75.926%0.25742%0.417SS..SBendtrans-84.2129.8-179.4-63.2176000110L248 F250 C258 D259 E263 F264 L294L248-L261 HydrophobicContact CD1-CD1 3.82Å; F250-L261 HydrophobicContact CE1-CD1 4.35Å; C258-L261 VanDerWaalsContact O-CB 3.28Å; C258-L261 WeakPolarHBondContact O-CB 3.33Å; C258-L261 PolarHBondContact O-N 3.34Å; D259-L261 VanDerWaalsContact C-N 3.28Å; L261-E263 WeakPolarHBondContact CB-OE2 3.07Å; L261-E263 PolarHBondContact O-N 3.35Å; L261-F264 WeakPolarHBondContact O-CB 3.46Å; L261-F264 PolarHBondContact O-N 2.89Å; L261-L294 HydrophobicContact CD1-CB 4.24Å; L261-L294 HydrophobicContact CD1-CD2 4.27Å
262P84.5Confident82.4Confident90 Ų9067.4 Ų67.458%0.58438%0.381SS*.G310 helixtrans-59.4-30179.924.5-33.5000112.5F264 N265P262-F264 PolarHBondContact O-N 3.16Å; P262-N265 WeakPolarHBondContact O-CB 3.13Å; P262-N265 PolarHBondContact O-N 3.18Å; P262-N265 VanDerWaalsContact O-N 3.15Å; P262-N265 PolarHBondContact O-ND2 3.3Å
263E86.5Confident83.8Confident32 Ų3256.8 Ų56.815%0.1534%0.335CS..G310 helixtrans-60.3-31.2176.8-63.178.9-170.700112.4V179 L261 N265 L266 L294 T296V179-E263 HydrophobicContact CG2-CB 4.08Å; V179-E263 HydrophobicContact CG2-CG 4.4Å; L261-E263 WeakPolarHBondContact CB-OE2 3.07Å; L261-E263 PolarHBondContact O-N 3.35Å; E263-N265 PolarHBondContact O-N 3.32Å; E263-L266 WeakPolarHBondContact O-CB 3.44Å; E263-L266 PolarHBondContact O-N 2.97Å; E263-L266 VanDerWaalsContact O-N 3.14Å; E263-L294 HydrophobicContact CB-CD2 3.63Å; E263-L294 HydrophobicContact CB-CG 3.69Å; E263-L294 HydrophobicContact CG-CG 4.1Å; E263-T296 WeakPolarHBondContact CG-OG1 3.18Å
264F87.7Confident85.3Confident31 Ų3152.7 Ų52.714%0.13629%0.292CS..G310 helixtrans-69.6-16.1-179.3-163.4-98.9000112.6R241 L244 C258 D259 L261 P262 L266 M270R241-F264 HydrophobicContact CB-CZ 4.25Å; R241-F264 HydrophobicContact CG-CZ 4.41Å; L244-F264 HydrophobicContact CD1-CD2 4.11Å; L244-F264 HydrophobicContact CD1-CE2 3.97Å; C258-F264 HydrophobicContact CB-CD2 4.22Å; C258-F264 HydrophobicContact CB-CE2 4.48Å; D259-F264 VanDerWaalsContact OD1-CE1 3.24Å; D259-F264 WeakPolarHBondContact OD1-CE1 3.5Å; L261-F264 WeakPolarHBondContact O-CB 3.46Å; L261-F264 PolarHBondContact O-N 2.89Å; P262-F264 PolarHBondContact O-N 3.16Å; F264-L266 PolarHBondContact O-N 2.93Å; F264-M270 HydrophobicContact CD2-CG 4.04Å; F264-M270 HydrophobicContact CD2-SD 3.72Å; F264-M270 HydrophobicContact CE2-CG 4.27Å; F264-M270 HydrophobicContact CE2-SD 4.21Å
265N86.5Confident86.4Confident123 Ų12349.8 Ų49.866%0.65827%0.272SS*.G310 helixtrans-69.9-17.5173.3-65.9-39.5000113P262 E263 Q267P262-N265 WeakPolarHBondContact O-CB 3.13Å; P262-N265 PolarHBondContact O-N 3.18Å; P262-N265 VanDerWaalsContact O-N 3.15Å; P262-N265 PolarHBondContact O-ND2 3.3Å; E263-N265 PolarHBondContact O-N 3.32Å; N265-Q267 PolarHBondContact O-N 2.85Å
266L87.8Confident87.8Confident45 Ų4546.3 Ų46.324%0.23624%0.243CC..  trans-78.671.8174.4-59.9176.2000110V179 E181 E263 F264 D268 A269 M270V179-L266 HydrophobicContact CG2-CD1 4.04Å; E181-L266 HydrophobicContact CG-CB 4.27Å; E181-L266 HydrophobicContact CG-CD2 4.14Å; E181-L266 WeakPolarHBondContact OE1-CA 3.25Å; E181-L266 WeakPolarHBondContact OE1-CB 3.33Å; E263-L266 WeakPolarHBondContact O-CB 3.44Å; E263-L266 PolarHBondContact O-N 2.97Å; E263-L266 VanDerWaalsContact O-N 3.14Å; F264-L266 PolarHBondContact O-N 2.93Å; L266-D268 PolarHBondContact O-N 3.37Å; L266-A269 HydrophobicContact CB-CB 3.94Å; L266-A269 PolarHBondContact O-N 3.07Å; L266-A269 VanDerWaalsContact O-N 3.14Å; L266-M270 WeakPolarHBondContact O-CG 3.35Å; L266-M270 PolarHBondContact O-N 3.36Å
267Q86.7Confident88.7Confident145 Ų14542.2 Ų42.268%0.67822%0.221SC*.Hα-helixtrans-58.8-32.2-171.3-66.9-172.7-9.600113.4N265 Q271N265-Q267 PolarHBondContact O-N 2.85Å; Q267-Q271 PolarHBondContact O-N 2.7Å; Q267-Q271 PolarHBondContact O-NE2 3.02Å
268D91.1Very high89.3Confident37 Ų3738 Ų3820%0.19821%0.205CC..Hα-helixtrans-77.6-38.7179.2-66.7-38.2000110.9F154 K164 S166 E181 L266 M270 Q271F154-D268 HydrophobicContact CE2-CB 3.67Å; F154-D268 HydrophobicContact CZ-CB 3.78Å; F154-D268 WeakPolarHBondContact CZ-OD1 3.41Å; K164-D268 IonicContact NZ-OD2 3.28Å; K164-D268 PolarHBondContact NZ-OD2 3.4Å; S166-D268 WeakPolarHBondContact OG-CB 3.42Å; E181-D268 WeakPolarHBondContact OE1-CB 3.42Å; E181-D268 PolarHBondContact OE1-N 2.97Å; E181-D268 VanDerWaalsContact OE1-N 3.15Å; L266-D268 PolarHBondContact O-N 3.37Å; D268-M270 VanDerWaalsContact C-N 3.3Å; D268-M270 PolarHBondContact O-N 3.02Å; D268-Q271 WeakPolarHBondContact O-CB 3.35Å; D268-Q271 PolarHBondContact O-N 3.3Å; D268-Q271 PolarHBondContact OD1-NE2 2.71Å
269A91.9Very high89.6Confident0 Ų039.4 Ų39.40%021%0.211CC..Hα-helixtrans-66.3-31.5172.200000112.6V179 E181 L266 Q271 C272 V273V179-A269 HydrophobicContact CB-CB 3.96Å; V179-A269 HydrophobicContact CG1-CB 4.37Å; E181-A269 HydrophobicContact CG-CB 3.84Å; E181-A269 PolarHBondContact OE1-N 3.4Å; L266-A269 HydrophobicContact CB-CB 3.94Å; L266-A269 PolarHBondContact O-N 3.07Å; L266-A269 VanDerWaalsContact O-N 3.14Å; A269-Q271 VanDerWaalsContact C-N 3.27Å; A269-Q271 PolarHBondContact O-N 2.87Å; A269-C272 WeakPolarHBondContact O-CA 3.44Å; A269-C272 VanDerWaalsContact O-CB 3.28Å; A269-C272 WeakPolarHBondContact O-CB 3.24Å; A269-C272 PolarHBondContact O-N 3.03Å; A269-V273 PolarHBondContact O-N 3.2Å
270M94Very high90Very high5 Ų537.2 Ų37.23%0.02520%0.199CC..Hα-helixtrans-62.3-33.5173.9-73.3-5199.300112.4V179 L240 L244 F264 L266 D268 C272 V273 A274 L294V179-M270 HydrophobicContact CB-CE 4.21Å; V179-M270 HydrophobicContact CG1-CE 3.73Å; V179-M270 HydrophobicContact CG2-CE 3.96Å; L240-M270 HydrophobicContact CD2-CB 3.74Å; L240-M270 HydrophobicContact CD2-CG 4.41Å; L240-M270 WeakPolarHBondContact CD2-O 3.24Å; L240-M270 HydrophobicContact CD2-SD 4.34Å; L244-M270 HydrophobicContact CD1-SD 4.19Å; F264-M270 HydrophobicContact CD2-CG 4.04Å; F264-M270 HydrophobicContact CD2-SD 3.72Å; F264-M270 HydrophobicContact CE2-CG 4.27Å; F264-M270 HydrophobicContact CE2-SD 4.21Å; L266-M270 WeakPolarHBondContact O-CG 3.35Å; L266-M270 PolarHBondContact O-N 3.36Å; D268-M270 VanDerWaalsContact C-N 3.3Å; D268-M270 PolarHBondContact O-N 3.02Å; M270-C272 VanDerWaalsContact C-N 3.27Å; M270-C272 PolarHBondContact O-N 3Å; M270-V273 HydrophobicContact CE-CG2 3.98Å; M270-V273 WeakPolarHBondContact O-CB 3.45Å; M270-V273 PolarHBondContact O-N 2.87Å; M270-V273 HydrophobicContact SD-CG2 4.4Å; M270-A274 PolarHBondContact O-N 3.36Å; M270-L294 HydrophobicContact CE-CD1 4.32Å; M270-L294 HydrophobicContact CE-CD2 4.29Å; M270-L294 HydrophobicContact SD-CD2 4.37Å
271Q94Very high90.2Very high34 Ų3437.5 Ų37.516%0.15919%0.186CC..Hα-helixtrans-62-37172.3-66.2168.352.100111.6F235 Q267 D268 A269 A274 A275F235-Q271 HydrophobicContact CD1-CB 4.3Å; F235-Q271 WeakPolarHBondContact CD1-O 3.49Å; F235-Q271 VanDerWaalsContact O-CB 3.31Å; F235-Q271 WeakPolarHBondContact O-CB 3.38Å; F235-Q271 WeakPolarHBondContact O-CG 3.4Å; Q267-Q271 PolarHBondContact O-N 2.7Å; Q267-Q271 PolarHBondContact O-NE2 3.02Å; D268-Q271 WeakPolarHBondContact O-CB 3.35Å; D268-Q271 PolarHBondContact O-N 3.3Å; D268-Q271 PolarHBondContact OD1-NE2 2.71Å; A269-Q271 VanDerWaalsContact C-N 3.27Å; A269-Q271 PolarHBondContact O-N 2.87Å; Q271-A274 WeakPolarHBondContact O-CB 3.38Å; Q271-A274 PolarHBondContact O-N 2.85Å; Q271-A275 PolarHBondContact O-N 3.35Å; Q271-A275 VanDerWaalsContact O-N 3.08Å
272C95.5Very high90.3Very high0 Ų035.5 Ų35.50%018%0.175CC..Hα-helixtrans-66.9-39.9173.8-59.10000111.7A150 S166 A168 F235 A269 M270 A274 A275 I276A150-C272 HydrophobicContact CB-CB 3.95Å; A150-C272 WeakPolarHBondContact CB-O 3.41Å; S166-C272 PolarHBondContact O-SG 3.18Å; A168-C272 HydrophobicContact CB-CB 3.55Å; F235-C272 HydrophobicContact CE1-CB 4.32Å; A269-C272 WeakPolarHBondContact O-CA 3.44Å; A269-C272 VanDerWaalsContact O-CB 3.28Å; A269-C272 WeakPolarHBondContact O-CB 3.24Å; A269-C272 PolarHBondContact O-N 3.03Å; M270-C272 VanDerWaalsContact C-N 3.27Å; M270-C272 PolarHBondContact O-N 3Å; C272-A274 VanDerWaalsContact C-N 3.32Å; C272-A274 PolarHBondContact O-N 3.01Å; C272-A275 WeakPolarHBondContact O-CB 3.3Å; C272-A275 PolarHBondContact O-N 3.01Å; C272-I276 WeakPolarHBondContact O-CG1 3.39Å; C272-I276 PolarHBondContact O-N 3.31Å; C272-I276 VanDerWaalsContact O-N 3.09Å
273V95.1Very high90.4Very high0 Ų033.7 Ų33.70%016%0.16CC..Hα-helixtrans-59.9-43.8172.9178.70000110.7A168 F177 V179 L240 L244 A269 M270 A275 I276 V277A168-V273 HydrophobicContact CB-CG2 3.72Å; F177-V273 HydrophobicContact CD1-CG1 4.15Å; F177-V273 HydrophobicContact CE1-CG1 4.37Å; F177-V273 HydrophobicContact CG-CG1 4.27Å; V179-V273 HydrophobicContact CG1-CG2 3.42Å; V179-V273 VanDerWaalsContact CG1-CG2 3.42Å; L240-V273 HydrophobicContact CD1-CG1 4.34Å; L244-V273 HydrophobicContact CD2-CG1 4.05Å; A269-V273 PolarHBondContact O-N 3.2Å; M270-V273 HydrophobicContact CE-CG2 3.98Å; M270-V273 WeakPolarHBondContact O-CB 3.45Å; M270-V273 PolarHBondContact O-N 2.87Å; M270-V273 HydrophobicContact SD-CG2 4.4Å; V273-A275 VanDerWaalsContact C-N 3.31Å; V273-A275 PolarHBondContact O-N 3.26Å; V273-I276 PolarHBondContact O-N 3.32Å; V273-V277 HydrophobicContact CG1-CG2 4.19Å; V273-V277 WeakPolarHBondContact O-CG2 3.42Å; V273-V277 PolarHBondContact O-N 3.34Å
274A94.6Very high90.2Very high1 Ų139.5 Ų39.51%0.00819%0.189CC..Hα-helixtrans-59.6-41.2177.400000112.4Q234 D236 L240 M270 Q271 C272 V277 R278Q234-A274 CarbonylContact O-C 3.56Å; D236-A274 VanDerWaalsContact O-CB 3.3Å; D236-A274 WeakPolarHBondContact O-CB 3.47Å; L240-A274 HydrophobicContact CB-CB 4.46Å; L240-A274 HydrophobicContact CD1-CB 3.89Å; L240-A274 HydrophobicContact CD2-CB 4.17Å; L240-A274 HydrophobicContact CG-CB 4.39Å; M270-A274 PolarHBondContact O-N 3.36Å; Q271-A274 WeakPolarHBondContact O-CB 3.38Å; Q271-A274 PolarHBondContact O-N 2.85Å; C272-A274 VanDerWaalsContact C-N 3.32Å; C272-A274 PolarHBondContact O-N 3.01Å; A274-V277 PolarHBondContact O-N 3.38Å; A274-R278 WeakPolarHBondContact O-CG 3.33Å; A274-R278 PolarHBondContact O-N 2.91Å; A274-R278 VanDerWaalsContact O-N 3.12Å
275A94Very high89.5Confident0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-60.4-45.7174.800000111.9A150 Q234 F235 Q271 C272 V273 R278 Y279A150-A275 HydrophobicContact CB-CB 4.22Å; Q234-A275 WeakPolarHBondContact O-CA 3.25Å; Q234-A275 PolarHBondContact O-N 2.83Å; Q234-A275 VanDerWaalsContact O-N 3.16Å; F235-A275 HydrophobicContact CD1-CB 3.84Å; F235-A275 HydrophobicContact CD2-CB 3.67Å; F235-A275 HydrophobicContact CE1-CB 3.76Å; F235-A275 HydrophobicContact CE2-CB 3.61Å; F235-A275 HydrophobicContact CG-CB 3.81Å; F235-A275 HydrophobicContact CZ-CB 3.65Å; Q271-A275 PolarHBondContact O-N 3.35Å; Q271-A275 VanDerWaalsContact O-N 3.08Å; C272-A275 WeakPolarHBondContact O-CB 3.3Å; C272-A275 PolarHBondContact O-N 3.01Å; V273-A275 VanDerWaalsContact C-N 3.31Å; V273-A275 PolarHBondContact O-N 3.26Å; A275-R278 PolarHBondContact O-N 3.21Å; A275-Y279 WeakPolarHBondContact O-CB 3.43Å; A275-Y279 PolarHBondContact O-N 2.96Å
276I93.3Very high89.1Confident0 Ų040.6 Ų40.60%020%0.196CC..Hα-helixtrans-64.7-46.5179.2-62.3168.7000111.5A150 A168 C170 F177 C272 V273 R278 Y279 L280A150-I276 HydrophobicContact CB-CD1 3.88Å; A150-I276 HydrophobicContact CB-CG1 3.49Å; A150-I276 VanDerWaalsContact CB-CG1 3.49Å; A168-I276 HydrophobicContact CB-CD1 3.74Å; A168-I276 WeakPolarHBondContact O-CD1 3.13Å; C170-I276 HydrophobicContact CB-CD1 4.27Å; C170-I276 HydrophobicContact CB-CG2 3.45Å; C170-I276 VanDerWaalsContact CB-CG2 3.45Å; F177-I276 HydrophobicContact CE1-CG2 4.42Å; C272-I276 WeakPolarHBondContact O-CG1 3.39Å; C272-I276 PolarHBondContact O-N 3.31Å; C272-I276 VanDerWaalsContact O-N 3.09Å; V273-I276 PolarHBondContact O-N 3.32Å; I276-R278 VanDerWaalsContact C-N 3.27Å; I276-R278 PolarHBondContact O-N 3.35Å; I276-Y279 PolarHBondContact O-N 2.97Å; I276-L280 HydrophobicContact CG2-CD1 3.55Å; I276-L280 HydrophobicContact CG2-CG 4.07Å; I276-L280 WeakPolarHBondContact O-CB 3.48Å; I276-L280 PolarHBondContact O-N 2.76Å
277V92.3Very high88.4Confident4 Ų439.9 Ų39.92%0.02419%0.194CC..Hα-helixtrans-59.5-40.8-178.41720000111.3F177 I243 L247 V273 A274 K281 L282 M283F177-V277 HydrophobicContact CE1-CG2 4.07Å; F177-V277 HydrophobicContact CZ-CG2 3.74Å; I243-V277 HydrophobicContact CG2-CG1 3.67Å; L247-V277 HydrophobicContact CD1-CG1 3.86Å; L247-V277 HydrophobicContact CD1-CG2 3.98Å; V273-V277 HydrophobicContact CG1-CG2 4.19Å; V273-V277 WeakPolarHBondContact O-CG2 3.42Å; V273-V277 PolarHBondContact O-N 3.34Å; A274-V277 PolarHBondContact O-N 3.38Å; V277-K281 WeakPolarHBondContact O-CA 3.39Å; V277-K281 PolarHBondContact O-N 2.94Å; V277-K281 VanDerWaalsContact O-N 3.09Å; V277-L282 HydrophobicContact CG1-CB 4.35Å; V277-L282 HydrophobicContact CG2-CD1 4.22Å; V277-L282 PolarHBondContact O-N 3.24Å; V277-M283 HydrophobicContact CG1-CG 4.2Å
278R91.4Very high88.1Confident68 Ų6833.6 Ų33.626%0.25717%0.165SC..Hα-helixtrans-73.1-41.6176.5-67.7-170.8-169.699.5-3.5112.5Q234 D236 D239 A274 A275 I276 K281Q234-R278 PolarHBondContact O-NH1 3.11Å; D236-R278 PolarHBondContact O-NH1 3.04Å; D236-R278 PolarHBondContact O-NH2 3.22Å; D239-R278 IonicContact OD1-CZ 3.79Å; D239-R278 IonicContact OD1-NH2 2.6Å; D239-R278 PolarHBondContact OD1-NH2 3.12Å; D239-R278 IonicContact OD2-NH2 3.84Å; A274-R278 WeakPolarHBondContact O-CG 3.33Å; A274-R278 PolarHBondContact O-N 2.91Å; A274-R278 VanDerWaalsContact O-N 3.12Å; A275-R278 PolarHBondContact O-N 3.21Å; I276-R278 VanDerWaalsContact C-N 3.27Å; I276-R278 PolarHBondContact O-N 3.35Å; R278-K281 PolarHBondContact O-N 3.49Å
279Y89.2Confident87.7Confident30 Ų3034 Ų3412%0.11817%0.166CC..Hα-helixtrans-62.1-47.4179-178.2-101000112.2T125 N128 V148 E202 I204 T228 V230 A275 I276 K281T125-Y279 PolarHBondContact OG1-OH 2.92Å; N128-Y279 HydrophobicContact CB-CD1 4.2Å; N128-Y279 HydrophobicContact CB-CE1 3.56Å; N128-Y279 PolarHBondContact ND2-O 3.42Å; V148-Y279 HydrophobicContact CG1-CD1 4.41Å; E202-Y279 PolarHBondContact OE1-OH 2.98Å; E202-Y279 PolarHBondContact OE2-OH 3.35Å; I204-Y279 HydrophobicContact CD1-CD1 3.24Å; I204-Y279 HydrophobicContact CD1-CD2 3.88Å; I204-Y279 HydrophobicContact CD1-CE1 3.7Å; I204-Y279 HydrophobicContact CD1-CE2 4.32Å; I204-Y279 HydrophobicContact CD1-CG 3.31Å; I204-Y279 HydrophobicContact CG1-CD1 4.24Å; I204-Y279 HydrophobicContact CG1-CD2 4.41Å; I204-Y279 HydrophobicContact CG1-CE1 4.26Å; I204-Y279 HydrophobicContact CG1-CE2 4.49Å; I204-Y279 HydrophobicContact CG1-CG 4.28Å; T228-Y279 HydrophobicContact CG2-CE2 3.91Å; V230-Y279 HydrophobicContact CG1-CD2 4.26Å; A275-Y279 WeakPolarHBondContact O-CB 3.43Å; A275-Y279 PolarHBondContact O-N 2.96Å; I276-Y279 PolarHBondContact O-N 2.97Å; Y279-K281 PolarHBondContact O-N 3.33Å
280L87.6Confident87.3Confident8 Ų841.9 Ų41.94%0.04220%0.196CC..THydrogen-bonded Turntrans-81.5-1.8178-65.2-179.6000113.4N128 V148 C170 L172 I276 L282N128-L280 HydrophobicContact CB-CD2 3.73Å; V148-L280 HydrophobicContact CB-CD1 4.42Å; V148-L280 HydrophobicContact CG2-CD1 4.49Å; V148-L280 HydrophobicContact CG2-CD2 4.13Å; C170-L280 HydrophobicContact CB-CD1 4.29Å; L172-L280 HydrophobicContact CD1-CD1 4.36Å; L172-L280 HydrophobicContact CD2-CD1 4.16Å; L172-L280 HydrophobicContact CG-CD1 4.4Å; I276-L280 HydrophobicContact CG2-CD1 3.55Å; I276-L280 HydrophobicContact CG2-CG 4.07Å; I276-L280 WeakPolarHBondContact O-CB 3.48Å; I276-L280 PolarHBondContact O-N 2.76Å; L280-L282 HydrophobicContact CB-CD1 4.46Å; L280-L282 HydrophobicContact CB-CD2 3.65Å; L280-L282 HydrophobicContact CB-CG 3.76Å; L280-L282 HydrophobicContact CD1-CD2 4.26Å; L280-L282 PolarHBondContact O-N 2.86Å; L280-L282 VanDerWaalsContact O-N 3.14Å
281K86.7Confident86.7Confident86 Ų8643.9 Ų43.937%0.37421%0.205SC..THydrogen-bonded Turntrans49.938.2-178.6-62.2174174.3176.70112.9E131 V277 R278 Y279 M283 M284E131-K281 IonicContact OE1-NZ 3.4Å; E131-K281 PolarHBondContact OE1-NZ 2.97Å; V277-K281 WeakPolarHBondContact O-CA 3.39Å; V277-K281 PolarHBondContact O-N 2.94Å; V277-K281 VanDerWaalsContact O-N 3.09Å; R278-K281 PolarHBondContact O-N 3.49Å; Y279-K281 PolarHBondContact O-N 3.33Å; K281-M283 PolarHBondContact O-N 2.99Å; K281-M284 HydrophobicContact CB-CB 4.47Å; K281-M284 HydrophobicContact CB-CG 4.08Å; K281-M284 HydrophobicContact CB-SD 3.96Å; K281-M284 HydrophobicContact CD-SD 3.86Å; K281-M284 HydrophobicContact CG-SD 4.19Å; K281-M284 WeakPolarHBondContact O-CB 3.33Å; K281-M284 PolarHBondContact O-N 3.11Å
282L86.4Confident86.4Confident6 Ų642.3 Ų42.33%0.03120%0.198CC..G310 helixtrans-60.4-26.3-169.7-61.3178.1000113.6L172 F177 L247 V277 L280 M284 N288 F292L172-L282 HydrophobicContact CD2-CD2 3.9Å; F177-L282 HydrophobicContact CE1-CD1 3.94Å; F177-L282 HydrophobicContact CZ-CD1 3.53Å; L247-L282 HydrophobicContact CD1-CB 4.36Å; L247-L282 HydrophobicContact CD2-CB 4.41Å; V277-L282 HydrophobicContact CG1-CB 4.35Å; V277-L282 HydrophobicContact CG2-CD1 4.22Å; V277-L282 PolarHBondContact O-N 3.24Å; L280-L282 HydrophobicContact CB-CD1 4.46Å; L280-L282 HydrophobicContact CB-CD2 3.65Å; L280-L282 HydrophobicContact CB-CG 3.76Å; L280-L282 HydrophobicContact CD1-CD2 4.26Å; L280-L282 PolarHBondContact O-N 2.86Å; L280-L282 VanDerWaalsContact O-N 3.14Å; L282-M284 VanDerWaalsContact C-N 3.29Å; L282-M284 PolarHBondContact O-N 2.88Å; L282-N288 WeakPolarHBondContact O-CB 3.38Å; L282-N288 PolarHBondContact O-ND2 3.33Å; L282-F292 HydrophobicContact CD1-CE1 4.34Å; L282-F292 HydrophobicContact CD1-CZ 4.08Å; L282-F292 HydrophobicContact CD2-CZ 4.4Å
283M85.7Confident86Confident53 Ų5344.2 Ų44.226%0.26121%0.211SC..G310 helixtrans-73.6-15.1176.7-72.7-61-63.800114.5I243 R246 L247 V277 K281 M289I243-M283 HydrophobicContact CG2-CG 3.81Å; I243-M283 HydrophobicContact CG2-SD 3.79Å; R246-M283 HydrophobicContact CB-CE 4.21Å; L247-M283 HydrophobicContact CD1-SD 4.06Å; L247-M283 HydrophobicContact CD2-SD 3.79Å; L247-M283 HydrophobicContact CG-SD 3.7Å; V277-M283 HydrophobicContact CG1-CG 4.2Å; K281-M283 PolarHBondContact O-N 2.99Å; M283-M289 HydrophobicContact CE-CE 3.84Å; M283-M289 HydrophobicContact CE-SD 4.23Å; M283-M289 WeakPolarHBondContact O-CE 3.18Å; M283-M289 HydrophobicContact SD-CE 3.92Å; M283-M289 HydrophobicContact SD-SD 4.23Å
284M82.2Confident85.8Confident154 Ų15444.9 Ų44.976%0.75922%0.215SC*.G310 helixtrans-80.7-19.4179.2-63.6-1687400112.8K281 L282K281-M284 HydrophobicContact CB-CB 4.47Å; K281-M284 HydrophobicContact CB-CG 4.08Å; K281-M284 HydrophobicContact CB-SD 3.96Å; K281-M284 HydrophobicContact CD-SD 3.86Å; K281-M284 HydrophobicContact CG-SD 4.19Å; K281-M284 WeakPolarHBondContact O-CB 3.33Å; K281-M284 PolarHBondContact O-N 3.11Å; L282-M284 VanDerWaalsContact C-N 3.29Å; L282-M284 PolarHBondContact O-N 2.88Å
285D74.1Confident85.5Confident42 Ų4248.8 Ų48.823%0.22523%0.233CC..  trans-104.8109.4177.5-175.10.3000109.5C287 N288D285-C287 PolarHBondContact O-N 3.48Å; D285-C287 WeakPolarHBondContact OD1-CB 3.44Å; D285-C287 PolarHBondContact OD1-N 3.27Å; D285-C287 PolarHBondContact OD1-SG 2.84Å; D285-N288 WeakPolarHBondContact O-CB 3.47Å; D285-N288 PolarHBondContact O-N 3.36Å
286D77.1Confident85.1Confident134 Ų13452.5 Ų52.572%0.71726%0.256SS*.G310 helixtrans-57.4-21.8177.5-74.6-30.2000112.4N288 M289D286-N288 PolarHBondContact O-N 3.04Å; D286-M289 WeakPolarHBondContact O-CB 3.37Å; D286-M289 VanDerWaalsContact O-CG 3.26Å; D286-M289 WeakPolarHBondContact O-CG 3.38Å; D286-M289 PolarHBondContact O-N 3.38Å; D286-M289 VanDerWaalsContact O-N 3.14Å
287C72.8Confident84.6Confident31 Ų3153.3 Ų53.321%0.20926%0.26CS..G310 helixtrans-67.2-20.8177.9-51.20000112.3D285 M289 Q291 V360 K361D285-C287 PolarHBondContact O-N 3.48Å; D285-C287 WeakPolarHBondContact OD1-CB 3.44Å; D285-C287 PolarHBondContact OD1-N 3.27Å; D285-C287 PolarHBondContact OD1-SG 2.84Å; C287-M289 VanDerWaalsContact C-N 3.33Å; C287-Q291 WeakPolarHBondContact O-CG 3.41Å; C287-V360 HydrophobicContact CB-CG1 3.86Å; C287-V360 WeakPolarHBondContact O-CG1 3.47Å; C287-K361 HydrophobicContact CB-CG 4.3Å
288N80.4Confident83.6Confident13 Ų1356.6 Ų56.67%0.0728%0.277CS..G310 helixtrans-80.1-14.3175.8-69.1-34.3000113.4L247 L282 D285 D286 R290 Q291 F292L247-N288 HydrophobicContact CD2-CB 3.96Å; L282-N288 WeakPolarHBondContact O-CB 3.38Å; L282-N288 PolarHBondContact O-ND2 3.33Å; D285-N288 WeakPolarHBondContact O-CB 3.47Å; D285-N288 PolarHBondContact O-N 3.36Å; D286-N288 PolarHBondContact O-N 3.04Å; N288-R290 PolarHBondContact O-N 3.03Å; N288-Q291 PolarHBondContact O-N 3Å; N288-F292 HydrophobicContact CB-CE2 3.82Å
289M83.4Confident82.5Confident44 Ų4454.4 Ų54.422%0.21727%0.271CS..THydrogen-bonded Turntrans-66.9128.7-173.8-58.2-64.5161.500110.8R246 L247 M283 D286 C287 Q291R246-M289 HydrophobicContact CB-SD 4.01Å; R246-M289 CarbonylContact O-C 3.57Å; R246-M289 WeakPolarHBondContact O-CA 3.31Å; L247-M289 HydrophobicContact CD2-SD 4.28Å; M283-M289 HydrophobicContact CE-CE 3.84Å; M283-M289 HydrophobicContact CE-SD 4.23Å; M283-M289 WeakPolarHBondContact O-CE 3.18Å; M283-M289 HydrophobicContact SD-CE 3.92Å; M283-M289 HydrophobicContact SD-SD 4.23Å; D286-M289 WeakPolarHBondContact O-CB 3.37Å; D286-M289 VanDerWaalsContact O-CG 3.26Å; D286-M289 WeakPolarHBondContact O-CG 3.38Å; D286-M289 PolarHBondContact O-N 3.38Å; D286-M289 VanDerWaalsContact O-N 3.14Å; C287-M289 VanDerWaalsContact C-N 3.33Å; M289-Q291 PolarHBondContact O-N 3.18Å; M289-Q291 PolarHBondContact O-NE2 2.93Å
290R83.4Confident81Confident167 Ų16755.5 Ų55.563%0.6329%0.292SS*.THydrogen-bonded Turntrans54.233.2-178-58.2-179174.1173-0.4114.3R246 L247 K249 N288R246-R290 PolarHBondContact O-N 3.11Å; L247-R290 CarbonylContact O-C 3.58Å; L247-R290 VanDerWaalsContact O-CA 3.27Å; L247-R290 WeakPolarHBondContact O-CA 3.14Å; L247-R290 PolarHBondContact O-N 3.28Å; K249-R290 WeakPolarHBondContact CB-O 3.45Å; N288-R290 PolarHBondContact O-N 3.03Å
291Q81.4Confident79.3Confident46 Ų4660.7 Ų60.722%0.21532%0.315CS..THydrogen-bonded Turntrans-107.6-23178.1-62.6-52.1-47.300113.8H175 L247 C287 N288 M289 V360H175-Q291 HydrophobicContact CB-CB 4.3Å; H175-Q291 WeakPolarHBondContact CB-O 3.49Å; H175-Q291 WeakPolarHBondContact ND1-CB 3.4Å; L247-Q291 PolarHBondContact O-N 2.97Å; C287-Q291 WeakPolarHBondContact O-CG 3.41Å; N288-Q291 PolarHBondContact O-N 3Å; M289-Q291 PolarHBondContact O-N 3.18Å; M289-Q291 PolarHBondContact O-NE2 2.93Å; Q291-V360 HydrophobicContact CG-CG1 4.29Å
292F88.1Confident77.9Confident1 Ų159.1 Ų59.10%0.00431%0.309CS..BIsolated β-bridgetrans-86.1144.2-169.2-76.8-101.5000113.1L172 H175 F177 L247 L248 K249 L282 N288L172-F292 HydrophobicContact CD2-CZ 4.28Å; H175-F292 VanDerWaalsContact C-CD1 3.45Å; H175-F292 HydrophobicContact CB-CD1 4.04Å; H175-F292 HydrophobicContact CB-CD2 4.21Å; H175-F292 HydrophobicContact CB-CE1 4.13Å; H175-F292 HydrophobicContact CB-CE2 4.27Å; H175-F292 HydrophobicContact CB-CG 4.09Å; H175-F292 HydrophobicContact CB-CZ 4.24Å; H175-F292 CarbonylContact O-C 3.25Å; H175-F292 WeakPolarHBondContact O-CA 3.01Å; F177-F292 HydrophobicContact CD2-CB 3.96Å; F177-F292 AromaticContact CD2-CD1 3.77Å; F177-F292 HydrophobicContact CD2-CD1 3.77Å; F177-F292 HydrophobicContact CD2-CG 4.15Å; F177-F292 HydrophobicContact CE1-CD1 4.38Å; F177-F292 HydrophobicContact CE1-CE1 4.44Å; F177-F292 HydrophobicContact CE2-CB 3.72Å; F177-F292 AromaticContact CE2-CD1 3.36Å; F177-F292 HydrophobicContact CE2-CD1 3.36Å; F177-F292 HydrophobicContact CE2-CD2 4.47Å; F177-F292 HydrophobicContact CE2-CE1 4.08Å; F177-F292 AromaticContact CE2-CG 3.59Å; F177-F292 HydrophobicContact CE2-CG 3.59Å; F177-F292 HydrophobicContact CG-CD1 4.43Å; F177-F292 AromaticContact CZ-CD1 3.7Å; F177-F292 HydrophobicContact CZ-CD1 3.7Å; F177-F292 AromaticContact CZ-CE1 3.94Å; F177-F292 HydrophobicContact CZ-CE1 3.94Å; F177-F292 HydrophobicContact CZ-CG 4.22Å; L247-F292 PolarHBondContact O-N 3.02Å; L248-F292 CarbonylContact C-O 3.57Å; L248-F292 VanDerWaalsContact CA-O 3.31Å; L248-F292 WeakPolarHBondContact CA-O 3.38Å; L248-F292 HydrophobicContact CD2-CB 4.05Å; K249-F292 PolarHBondContact N-O 3.34Å; L282-F292 HydrophobicContact CD1-CE1 4.34Å; L282-F292 HydrophobicContact CD1-CZ 4.08Å; L282-F292 HydrophobicContact CD2-CZ 4.4Å; N288-F292 HydrophobicContact CB-CE2 3.82Å
293S87.3Confident76.7Confident40 Ų4059.9 Ų59.928%0.2831%0.313SS..EExtended strand (participates in β ladder)trans-98.5156.6161.762.30000110.8H175 S176 F177 E295H175-S293 PolarHBondContact O-N 3.12Å; S176-S293 WeakPolarHBondContact CB-OG 3.26Å; F177-S293 PolarHBondContact N-O 3.16Å; S293-E295 PolarHBondContact OG-OE1 3.22Å
294L90.6Very high75.7Confident14 Ų1460.1 Ų60.17%0.07331%0.311CS..EExtended strand (participates in β ladder)trans-119.4123.7169.6-177.463.8000107.8F177 V179 L248 L261 E263 M270F177-L294 HydrophobicContact CB-CD1 3.66Å; F177-L294 CarbonylContact O-C 3.51Å; F177-L294 WeakPolarHBondContact O-CA 3.46Å; V179-L294 HydrophobicContact CG1-CD1 4.01Å; V179-L294 HydrophobicContact CG2-CD1 4.2Å; L248-L294 HydrophobicContact CD1-CB 4.26Å; L248-L294 HydrophobicContact CD1-CD2 4.5Å; L248-L294 HydrophobicContact CD2-CB 4Å; L261-L294 HydrophobicContact CD1-CB 4.24Å; L261-L294 HydrophobicContact CD1-CD2 4.27Å; E263-L294 HydrophobicContact CB-CD2 3.63Å; E263-L294 HydrophobicContact CB-CG 3.69Å; E263-L294 HydrophobicContact CG-CG 4.1Å; M270-L294 HydrophobicContact CE-CD1 4.32Å; M270-L294 HydrophobicContact CE-CD2 4.29Å; M270-L294 HydrophobicContact SD-CD2 4.37Å
295E88.1Confident74.9Confident83 Ų8353.8 Ų53.839%0.38828%0.28SS..EExtended strand (participates in β ladder)trans-135.2159.8-173.3-67160.9-154.900109.9F177 R178 V179 S293F177-E295 PolarHBondContact O-N 2.93Å; R178-E295 CarbonylContact C-O 3.52Å; R178-E295 WeakPolarHBondContact CA-O 3.49Å; R178-E295 HydrophobicContact CG-CB 4.14Å; V179-E295 WeakPolarHBondContact CG2-O 3.46Å; V179-E295 PolarHBondContact N-O 3.31Å; S293-E295 PolarHBondContact OG-OE1 3.22Å
296T86.1Confident74.4Confident79 Ų7952.4 Ų52.449%0.48527%0.273SS..EExtended strand (participates in β ladder)trans-93.6140.2174.4-57.40000110.8V179 E263V179-T296 CarbonylContact O-C 3.48Å; V179-T296 WeakPolarHBondContact O-CA 3.4Å; E263-T296 WeakPolarHBondContact CG-OG1 3.18Å
297I82.3Confident73.5Confident17 Ų1747.7 Ų47.79%0.08725%0.245CC..  trans-88.2114.3167.2-52.8174.8000108.2L167 C169 R178 V179 C180 I198 L299L167-I297 HydrophobicContact CD2-CD1 3.84Å; C169-I297 HydrophobicContact CB-CD1 4.09Å; R178-I297 HydrophobicContact CB-CD1 3.77Å; R178-I297 HydrophobicContact CB-CG1 3.32Å; R178-I297 HydrophobicContact CG-CG1 4.49Å; V179-I297 PolarHBondContact O-N 3.13Å; C180-I297 HydrophobicContact CB-CB 3.9Å; C180-I297 VanDerWaalsContact CB-O 3.3Å; C180-I297 WeakPolarHBondContact CB-O 3.5Å; I198-I297 HydrophobicContact CD1-CD1 3.82Å; I198-I297 HydrophobicContact CG1-CD1 4.44Å; I297-L299 HydrophobicContact CG2-CD2 3.91Å; I297-L299 HydrophobicContact CG2-CG 4.41Å
298D71.3Confident72.6Confident72 Ų7247.5 Ų47.539%0.38525%0.248SC..  trans-94.9100169.8-172-7.2000110.2G300 Q301 F302D298-G300 PolarHBondContact O-N 2.89Å; D298-G300 WeakPolarHBondContact OD1-CA 3.16Å; D298-G300 PolarHBondContact OD1-N 3.2Å; D298-Q301 HydrophobicContact CB-CB 4.44Å; D298-Q301 HydrophobicContact CB-CG 3.99Å; D298-Q301 PolarHBondContact O-N 3.35Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.42Å; D298-Q301 PolarHBondContact OD2-NE2 3.03Å; D298-F302 WeakPolarHBondContact O-CD2 3.39Å; D298-F302 WeakPolarHBondContact O-CE2 3.06Å
299L67.8Low71.5Confident22 Ų2246.9 Ų46.912%0.11524%0.244CC..THydrogen-bonded Turntrans-66.3-11.1176.5-61.7175.8000113F182 A194 I297F182-L299 HydrophobicContact CD1-CD1 3.49Å; F182-L299 VanDerWaalsContact CD1-CD1 3.49Å; F182-L299 HydrophobicContact CE1-CD1 3.67Å; F182-L299 HydrophobicContact CG-CD1 4.05Å; F182-L299 HydrophobicContact CZ-CD1 4.36Å; A194-L299 HydrophobicContact CB-CD1 3.92Å; A194-L299 HydrophobicContact CB-CD2 3.67Å; A194-L299 HydrophobicContact CB-CG 4.48Å; I297-L299 HydrophobicContact CG2-CD2 3.91Å; I297-L299 HydrophobicContact CG2-CG 4.41Å
300G58.9Low70.2Confident54 Ų5448.1 Ų48.156%0.55725%0.249SC*.THydrogen-bonded Turntrans-85.2-21.4178.100000114.4D298 F302D298-G300 PolarHBondContact O-N 2.89Å; D298-G300 WeakPolarHBondContact OD1-CA 3.16Å; D298-G300 PolarHBondContact OD1-N 3.2Å; G300-F302 PolarHBondContact O-N 3.36Å
301Q51.5Low68.5Low116 Ų11646.3 Ų46.354%0.54225%0.247SC..SBendtrans-73.5-16.9179.7-77.617227.700113.3D298D298-Q301 HydrophobicContact CB-CB 4.44Å; D298-Q301 HydrophobicContact CB-CG 3.99Å; D298-Q301 PolarHBondContact O-N 3.35Å; D298-Q301 WeakPolarHBondContact OD2-CG 3.42Å; D298-Q301 PolarHBondContact OD2-NE2 3.03Å
302F57.4Low66.8Low54 Ų5445.9 Ų45.924%0.23725%0.249CC..SBendtrans-110.7148.3-171.9-53.2-68.7000111.7D298 G300 R304 L318D298-F302 WeakPolarHBondContact O-CD2 3.39Å; D298-F302 WeakPolarHBondContact O-CE2 3.06Å; G300-F302 PolarHBondContact O-N 3.36Å; F302-R304 PolarHBondContact O-N 2.93Å; F302-L318 WeakPolarHBondContact CD1-O 3.29Å; F302-L318 VanDerWaalsContact CE1-O 3.29Å; F302-L318 WeakPolarHBondContact CE1-O 3.44Å
303L60Low64.8Low21 Ų2146.5 Ų46.511%0.1125%0.253CS..  trans-57.7122165.9-178.362.5000109Q197 L305 I651 V669 I672Q197-L303 PolarHBondContact NE2-O 3.18Å; Q197-L303 VanDerWaalsContact NE2-O 3.11Å; L303-L305 HydrophobicContact CD2-CD2 3.76Å; L303-L305 HydrophobicContact CG-CD2 3.81Å; L303-L305 HydrophobicContact CG-CG 4.49Å; L303-L305 PolarHBondContact O-N 3.33Å; L303-I651 HydrophobicContact CD2-CG1 3.8Å; L303-V669 HydrophobicContact CD1-CB 4.47Å; L303-V669 HydrophobicContact CD1-CG2 3.69Å; L303-V669 VanDerWaalsContact CD1-O 3.24Å; L303-V669 WeakPolarHBondContact CD1-O 3.09Å; L303-I672 HydrophobicContact CD1-CG1 4.23Å; L303-I672 HydrophobicContact CD2-CD1 3.84Å; L303-I672 HydrophobicContact CD2-CG1 4.12Å
304R64.9Low62.5Low59 Ų5951.3 Ų51.322%0.22328%0.275CS..EExtended strand (participates in β ladder)trans-78.6118176.5-64.6176.4-178.7-160.3-5.5108.9C193 F302 D670 S671 I672C193-R304 VanDerWaalsContact SG-CB 3.58Å; F302-R304 PolarHBondContact O-N 2.93Å; R304-D670 PolarHBondContact N-O 3.47Å; R304-S671 CarbonylContact O-C 3.58Å; R304-S671 WeakPolarHBondContact O-CA 3.39Å; R304-S671 VanDerWaalsContact O-CB 3.28Å; R304-S671 WeakPolarHBondContact O-CB 3.48Å; R304-I672 PolarHBondContact O-N 3.35Å
305L65.4Low60Low20 Ų2051.7 Ų51.711%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-108.8134.8173.3-55.5178.9000107.4L303 C309 L315 I672L303-L305 HydrophobicContact CD2-CD2 3.76Å; L303-L305 HydrophobicContact CG-CD2 3.81Å; L303-L305 HydrophobicContact CG-CG 4.49Å; L303-L305 PolarHBondContact O-N 3.33Å; L305-C309 HydrophobicContact CB-CB 4.23Å; L305-L315 HydrophobicContact CD1-CB 4.32Å; L305-L315 HydrophobicContact CD1-CD1 4.06Å; L305-I672 HydrophobicContact CD2-CB 3.88Å; L305-I672 HydrophobicContact CD2-CD1 4.45Å; L305-I672 HydrophobicContact CD2-CG1 4.37Å
306D64.3Low57.4Low14 Ų1457 Ų578%0.07529%0.294CS..  trans-76.9168.8165.266.616.9000111G308 C309 F310 I672 L673 T674D306-G308 VanDerWaalsContact C-N 3.31Å; D306-G308 PolarHBondContact O-N 3.28Å; D306-G308 PolarHBondContact OD1-N 3.4Å; D306-C309 WeakPolarHBondContact O-CB 3.39Å; D306-C309 PolarHBondContact O-N 2.76Å; D306-C309 VanDerWaalsContact O-N 3.17Å; D306-C309 WeakPolarHBondContact OD1-CB 3.24Å; D306-C309 PolarHBondContact OD1-N 2.96Å; D306-F310 PolarHBondContact O-N 3.4Å; D306-I672 PolarHBondContact N-O 3.11Å; D306-L673 HydrophobicContact CB-CD2 4.27Å; D306-L673 WeakPolarHBondContact OD2-CA 3.41Å; D306-T674 PolarHBondContact OD1-OG1 2.93Å; D306-T674 PolarHBondContact OD2-N 2.72Å
307Y58.7Low55Low35 Ų3557.5 Ų57.514%0.13729%0.29CS..Hα-helixtrans-62.2-39.6-178.2177.7-99.9000112.1Q192 V196 L222 I223 C309 F310 E311Q192-Y307 VanDerWaalsContact NE2-CB 3.28Å; V196-Y307 HydrophobicContact CG2-CD2 4.26Å; L222-Y307 HydrophobicContact CB-CD1 4.28Å; L222-Y307 HydrophobicContact CB-CG 4.49Å; L222-Y307 WeakPolarHBondContact O-CE1 3.44Å; L222-Y307 WeakPolarHBondContact O-CE2 3.11Å; L222-Y307 PolarHBondContact O-OH 3.43Å; I223-Y307 VanDerWaalsContact CA-CE2 3.41Å; I223-Y307 HydrophobicContact CB-CD2 4.15Å; I223-Y307 HydrophobicContact CB-CE2 4.33Å; I223-Y307 HydrophobicContact CG1-CD2 4.1Å; I223-Y307 HydrophobicContact CG2-CD2 4.12Å; I223-Y307 HydrophobicContact CG2-CE2 4.27Å; Y307-C309 PolarHBondContact O-N 2.76Å; Y307-F310 PolarHBondContact O-N 3.07Å; Y307-F310 VanDerWaalsContact O-N 3.13Å; Y307-E311 HydrophobicContact CE1-CB 4.36Å; Y307-E311 VanDerWaalsContact CE1-OE2 3.23Å; Y307-E311 WeakPolarHBondContact CE1-OE2 3.27Å; Y307-E311 PolarHBondContact O-N 2.75Å
308G53.9Low52.8Low26 Ų2658 Ų5827%0.26829%0.292SS..Hα-helixtrans-59.3-37175.700000111.9D306 S312D306-G308 VanDerWaalsContact C-N 3.31Å; D306-G308 PolarHBondContact O-N 3.28Å; D306-G308 PolarHBondContact OD1-N 3.4Å; G308-S312 WeakPolarHBondContact O-CB 3.38Å; G308-S312 PolarHBondContact O-N 2.69Å; G308-S312 PolarHBondContact O-OG 3.17Å
309C56.5Low51.3Low0 Ų058.1 Ų58.10%029%0.293CS..Hα-helixtrans-71-39.5177.2-168.10000111.1L305 D306 Y307 S312 L313 I672 T674L305-C309 HydrophobicContact CB-CB 4.23Å; D306-C309 WeakPolarHBondContact O-CB 3.39Å; D306-C309 PolarHBondContact O-N 2.76Å; D306-C309 VanDerWaalsContact O-N 3.17Å; D306-C309 WeakPolarHBondContact OD1-CB 3.24Å; D306-C309 PolarHBondContact OD1-N 2.96Å; Y307-C309 PolarHBondContact O-N 2.76Å; C309-S312 WeakPolarHBondContact CA-OG 3.48Å; C309-S312 PolarHBondContact O-OG 3.04Å; C309-L313 WeakPolarHBondContact O-CB 3.32Å; C309-L313 WeakPolarHBondContact O-CG 3.03Å; C309-L313 PolarHBondContact O-N 2.64Å; C309-L313 WeakPolarHBondContact SG-CD1 3.2Å; C309-I672 VanDerWaalsContact SG-CG2 3.55Å; C309-T674 WeakPolarHBondContact CA-OG1 3.46Å; C309-T674 HydrophobicContact CB-CG2 3.74Å; C309-T674 PolarHBondContact N-OG1 3.27Å
310F55.7Low50.5Low70 Ų7060 Ų6031%0.30731%0.312SS..Hα-helixtrans-66.7-46.8177.7-171.9-95000112V196 D306 Y307 S312 N314V196-F310 HydrophobicContact CG1-CB 3.56Å; V196-F310 HydrophobicContact CG1-CD1 4.47Å; V196-F310 HydrophobicContact CG1-CD2 3.56Å; V196-F310 HydrophobicContact CG1-CE2 4.38Å; V196-F310 HydrophobicContact CG1-CG 3.61Å; D306-F310 PolarHBondContact O-N 3.4Å; Y307-F310 PolarHBondContact O-N 3.07Å; Y307-F310 VanDerWaalsContact O-N 3.13Å; F310-S312 VanDerWaalsContact C-N 3.34Å; F310-N314 PolarHBondContact O-N 3.41Å
311E49.2Very low50.5Low129 Ų12958.3 Ų58.360%0.60329%0.292SS*.Hα-helixtrans-66.5-36.1178.2-165.9177.4-166.200111.6Y307Y307-E311 HydrophobicContact CE1-CB 4.36Å; Y307-E311 VanDerWaalsContact CE1-OE2 3.23Å; Y307-E311 WeakPolarHBondContact CE1-OE2 3.27Å; Y307-E311 PolarHBondContact O-N 2.75Å
312S45.3Very low51.4Low37 Ų3757.2 Ų57.226%0.25929%0.289SS..Hα-helixtrans-81.7-22.6-179.961.90000114.8G308 C309 F310G308-S312 WeakPolarHBondContact O-CB 3.38Å; G308-S312 PolarHBondContact O-N 2.69Å; G308-S312 PolarHBondContact O-OG 3.17Å; C309-S312 WeakPolarHBondContact CA-OG 3.48Å; C309-S312 PolarHBondContact O-OG 3.04Å; F310-S312 VanDerWaalsContact C-N 3.34Å
313L45.5Very low52.3Low14 Ų1458.4 Ų58.47%0.07330%0.296CS..Hα-helixtrans-118.8-9.8-168.7-52.9-176.1000117.2C309 L315 R644 A647 V648 I651C309-L313 WeakPolarHBondContact O-CB 3.32Å; C309-L313 WeakPolarHBondContact O-CG 3.03Å; C309-L313 PolarHBondContact O-N 2.64Å; C309-L313 WeakPolarHBondContact SG-CD1 3.2Å; L313-L315 HydrophobicContact CB-CD1 3.38Å; L313-L315 HydrophobicContact CB-CG 3.85Å; L313-L315 HydrophobicContact CD1-CD1 3.93Å; L313-L315 HydrophobicContact CG-CD1 4.32Å; L313-L315 WeakPolarHBondContact O-CD2 3.5Å; L313-L315 VanDerWaalsContact O-CG 3.29Å; L313-L315 WeakPolarHBondContact O-CG 3.36Å; L313-R644 HydrophobicContact CD2-CB 4.48Å; L313-A647 HydrophobicContact CD1-CB 3.5Å; L313-A647 HydrophobicContact CD2-CB 4.04Å; L313-A647 HydrophobicContact CG-CB 4.47Å; L313-V648 HydrophobicContact CD2-CG2 3.77Å; L313-I651 HydrophobicContact CD1-CD1 3.38Å
314N38.4Very low53.3Low141 Ų14160.8 Ų60.875%0.75430%0.303SS*.  trans54.557.3174.9-75.9-30000115.9F310F310-N314 PolarHBondContact O-N 3.41Å
315L38.2Very low54.4Low23 Ų2358 Ų5812%0.1229%0.293CS..  trans-117.9148.2-166.7-58.9160.3000115L305 L313 I651L305-L315 HydrophobicContact CD1-CB 4.32Å; L305-L315 HydrophobicContact CD1-CD1 4.06Å; L313-L315 HydrophobicContact CB-CD1 3.38Å; L313-L315 HydrophobicContact CB-CG 3.85Å; L313-L315 HydrophobicContact CD1-CD1 3.93Å; L313-L315 HydrophobicContact CG-CD1 4.32Å; L313-L315 WeakPolarHBondContact O-CD2 3.5Å; L313-L315 VanDerWaalsContact O-CG 3.29Å; L313-L315 WeakPolarHBondContact O-CG 3.36Å; L315-I651 HydrophobicContact CB-CG2 4.32Å; L315-I651 HydrophobicContact CD1-CB 3.96Å; L315-I651 HydrophobicContact CD1-CD1 3.1Å; L315-I651 HydrophobicContact CD1-CG1 3.63Å; L315-I651 HydrophobicContact CD1-CG2 3.68Å; L315-I651 HydrophobicContact CD2-CB 4.18Å; L315-I651 HydrophobicContact CD2-CG2 3.49Å; L315-I651 VanDerWaalsContact CD2-CG2 3.49Å; L315-I651 HydrophobicContact CG-CD1 4.38Å; L315-I651 HydrophobicContact CG-CG2 3.96Å
316W33.1Very low55.4Low193 Ų19360.3 Ų60.373%0.73130%0.303SS*.  trans-121.1162.3178.3-64.486.3000112.9
317K37.3Very low56.5Low91 Ų9159.8 Ų59.840%0.39630%0.3SS..  trans-59.6158.9-162.6-68.4178.4175.2179.10117.7Q197Q197-K317 WeakPolarHBondContact O-CE 3.21Å; Q197-K317 PolarHBondContact O-NZ 2.7Å
318L35.7Very low58.1Low26 Ų2658.1 Ų58.114%0.13629%0.293CS..  trans-134.9148.2-170.3-107.9175000115.9F302 Q654 I655F302-L318 WeakPolarHBondContact CD1-O 3.29Å; F302-L318 VanDerWaalsContact CE1-O 3.29Å; F302-L318 WeakPolarHBondContact CE1-O 3.44Å; L318-Q654 HydrophobicContact CD1-CB 3.63Å; L318-Q654 VanDerWaalsContact CD1-O 3.29Å; L318-Q654 WeakPolarHBondContact CD1-O 3.46Å; L318-Q654 WeakPolarHBondContact CD2-O 3.44Å; L318-I655 HydrophobicContact CD1-CB 4.28Å; L318-I655 HydrophobicContact CD1-CG1 3.68Å; L318-I655 VanDerWaalsContact CD1-N 3.34Å; L318-I655 HydrophobicContact CD2-CB 4.28Å; L318-I655 HydrophobicContact CD2-CG1 4.3Å; L318-I655 WeakPolarHBondContact CD2-O 3.14Å; L318-I655 VanDerWaalsContact CG-CA 3.46Å; L318-I655 HydrophobicContact CG-CB 4.16Å; L318-I655 HydrophobicContact CG-CG1 3.64Å
319N39.6Very low59.9Low75 Ų7557.3 Ų57.340%0.40129%0.285SS..  trans-162.2129.6157.4-87.9-17.8000110.8R324N319-R324 PolarHBondContact O-NE 3.12Å; N319-R324 PolarHBondContact O-NH2 3.37Å
320A50.6Low61.6Low63 Ų6358.4 Ų58.452%0.52129%0.29SS..  trans61.7100.2176.800000116.2R324A320-R324 WeakPolarHBondContact O-CD 3.47Å; A320-R324 VanDerWaalsContact O-CG 3.24Å; A320-R324 WeakPolarHBondContact O-CG 3.33Å; A320-R324 PolarHBondContact O-NE 3.46Å
321S58.5Low63.4Low18 Ų1855.1 Ų55.113%0.12628%0.276CS..Hα-helixtrans-78.1-40.2-173.952.80000114.3L325S321-L325 WeakPolarHBondContact O-CB 3.31Å; S321-L325 VanDerWaalsContact O-CG 3.24Å; S321-L325 WeakPolarHBondContact O-CG 3.41Å; S321-L325 PolarHBondContact O-N 3.14Å
322D70.3Confident65.5Low93 Ų9350.3 Ų50.350%0.49726%0.255SS..Hα-helixtrans-76.9-42.2-162.2-76.711.1000113.8R324 L325 H326 I588D322-R324 VanDerWaalsContact C-N 3.34Å; D322-L325 PolarHBondContact O-N 3.25Å; D322-H326 WeakPolarHBondContact O-CB 3.39Å; D322-H326 PolarHBondContact O-N 3.3Å; D322-I588 WeakPolarHBondContact OD1-CB 3.12Å
323E76Confident67.8Low79 Ų7955.2 Ų55.237%0.36928%0.278SS..Hα-helixtrans-67.2-38.2176.1-65.6170.6153.300111H326 I327 Y398E323-H326 WeakPolarHBondContact O-CB 3.12Å; E323-H326 PolarHBondContact O-N 3.28Å; E323-I327 WeakPolarHBondContact O-CD1 3.46Å; E323-I327 WeakPolarHBondContact O-CG1 3.07Å; E323-I327 PolarHBondContact O-N 3.47Å; E323-Y398 HydrophobicContact CB-CE2 4.24Å; E323-Y398 HydrophobicContact CG-CE2 4.4Å; E323-Y398 PolarHBondContact OE2-OH 2.89Å
324R82.8Confident70.1Confident70 Ų7056.4 Ų56.426%0.26429%0.285SS..Hα-helixtrans-61.1-48.6172.5-68.5-179.4-172.6-161.4-3.3111.3N319 A320 D322 H326 I327 V328 L569 I655N319-R324 PolarHBondContact O-NE 3.12Å; N319-R324 PolarHBondContact O-NH2 3.37Å; A320-R324 WeakPolarHBondContact O-CD 3.47Å; A320-R324 VanDerWaalsContact O-CG 3.24Å; A320-R324 WeakPolarHBondContact O-CG 3.33Å; A320-R324 PolarHBondContact O-NE 3.46Å; D322-R324 VanDerWaalsContact C-N 3.34Å; R324-H326 PolarHBondContact O-N 3.14Å; R324-I327 PolarHBondContact O-N 3.42Å; R324-V328 WeakPolarHBondContact O-CB 3.4Å; R324-V328 VanDerWaalsContact O-CG2 3.29Å; R324-V328 WeakPolarHBondContact O-CG2 3.2Å; R324-V328 PolarHBondContact O-N 3.49Å; R324-L569 HydrophobicContact CB-CD2 3.97Å; R324-L569 HydrophobicContact CG-CD2 4.07Å; R324-I655 PolarHBondContact NH1-O 3.33Å
325L86.6Confident72.7Confident2 Ų256.7 Ų56.71%0.0128%0.279CS..Hα-helixtrans-59.8-34.1176.6-76.9172.4000112.1S321 D322 G329 K585 P586 I588 G656 S657 F658S321-L325 WeakPolarHBondContact O-CB 3.31Å; S321-L325 VanDerWaalsContact O-CG 3.24Å; S321-L325 WeakPolarHBondContact O-CG 3.41Å; S321-L325 PolarHBondContact O-N 3.14Å; D322-L325 PolarHBondContact O-N 3.25Å; L325-G329 PolarHBondContact O-N 3.15Å; L325-K585 HydrophobicContact CB-CG 4.46Å; L325-K585 HydrophobicContact CD2-CG 4.46Å; L325-P586 HydrophobicContact CD1-CG 4Å; L325-P586 HydrophobicContact CD2-CG 3.97Å; L325-I588 HydrophobicContact CD1-CD1 4.13Å; L325-I588 HydrophobicContact CD1-CG1 3.56Å; L325-G656 VanDerWaalsContact CD2-C 3.47Å; L325-S657 WeakPolarHBondContact CD2-O 3.05Å; L325-F658 HydrophobicContact CD2-CD1 4.05Å; L325-F658 HydrophobicContact CD2-CE1 4.38Å
326H87Confident75.3Confident67 Ų6764.2 Ų64.231%0.3131%0.311SS..Hα-helixtrans-66.1-50.2175-170.874.5000111.8D322 E323 R324 G329 H330 D392D322-H326 WeakPolarHBondContact O-CB 3.39Å; D322-H326 PolarHBondContact O-N 3.3Å; E323-H326 WeakPolarHBondContact O-CB 3.12Å; E323-H326 PolarHBondContact O-N 3.28Å; R324-H326 PolarHBondContact O-N 3.14Å; H326-G329 WeakPolarHBondContact O-CA 3.43Å; H326-G329 PolarHBondContact O-N 3.07Å; H326-G329 VanDerWaalsContact O-N 3.16Å; H326-H330 PolarHBondContact O-N 3.09Å; H326-D392 IonicContact CD2-OD2 2.71Å; H326-D392 IonicContact CE1-OD2 2.97Å; H326-D392 IonicContact NE2-OD1 3.02Å; H326-D392 IonicContact NE2-OD2 3.5Å; H326-D392 PolarHBondContact NE2-OD2 2.7Å
327I87.9Confident78.2Confident3 Ų355.3 Ų55.32%0.01528%0.278CS..Hα-helixtrans-60.4-46.7176.3-66.7158.9000111.4E323 R324 G329 H330 F331 V394 M395 Y398 F399 L569E323-I327 WeakPolarHBondContact O-CD1 3.46Å; E323-I327 WeakPolarHBondContact O-CG1 3.07Å; E323-I327 PolarHBondContact O-N 3.47Å; R324-I327 PolarHBondContact O-N 3.42Å; I327-G329 VanDerWaalsContact C-N 3.27Å; I327-G329 PolarHBondContact O-N 2.86Å; I327-H330 WeakPolarHBondContact O-CB 3.4Å; I327-H330 PolarHBondContact O-N 2.82Å; I327-F331 HydrophobicContact CG2-CD2 3.94Å; I327-F331 HydrophobicContact CG2-CE2 3.62Å; I327-F331 VanDerWaalsContact O-CD2 3.29Å; I327-F331 WeakPolarHBondContact O-CD2 3.38Å; I327-F331 PolarHBondContact O-N 2.82Å; I327-F331 VanDerWaalsContact O-N 3.15Å; I327-V394 HydrophobicContact CD1-CG1 4.35Å; I327-V394 HydrophobicContact CG1-CG1 4.11Å; I327-M395 HydrophobicContact CB-SD 4.22Å; I327-M395 HydrophobicContact CG1-SD 3.93Å; I327-M395 HydrophobicContact CG2-SD 3.86Å; I327-Y398 HydrophobicContact CD1-CD2 4.34Å; I327-Y398 HydrophobicContact CD1-CG 4.11Å; I327-F399 HydrophobicContact CD1-CE2 3.94Å; I327-F399 HydrophobicContact CG1-CE2 4.35Å; I327-F399 HydrophobicContact CG2-CE2 3.85Å; I327-L569 HydrophobicContact CB-CD1 4.29Å; I327-L569 HydrophobicContact CD1-CD1 4.11Å; I327-L569 HydrophobicContact CG2-CB 4.16Å; I327-L569 HydrophobicContact CG2-CD1 3.76Å
328V91.7Very high80.9Confident0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-59.1-43.2176173.40000109.8R324 H330 F331 V332 L569 F572 A573 F658R324-V328 WeakPolarHBondContact O-CB 3.4Å; R324-V328 VanDerWaalsContact O-CG2 3.29Å; R324-V328 WeakPolarHBondContact O-CG2 3.2Å; R324-V328 PolarHBondContact O-N 3.49Å; V328-H330 VanDerWaalsContact C-N 3.34Å; V328-H330 PolarHBondContact O-N 3.41Å; V328-F331 PolarHBondContact O-N 3.21Å; V328-V332 HydrophobicContact CG1-CG2 4.18Å; V328-V332 VanDerWaalsContact O-CG2 3.3Å; V328-V332 WeakPolarHBondContact O-CG2 3.48Å; V328-V332 PolarHBondContact O-N 2.74Å; V328-L569 HydrophobicContact CG2-CB 4.28Å; V328-L569 HydrophobicContact CG2-CD2 3.85Å; V328-F572 HydrophobicContact CG1-CB 4.14Å; V328-F572 HydrophobicContact CG2-CB 3.91Å; V328-F572 HydrophobicContact CG2-CD2 4.14Å; V328-A573 HydrophobicContact CG1-CB 4.19Å; V328-F658 HydrophobicContact CB-CD1 4.42Å; V328-F658 HydrophobicContact CB-CE1 4.26Å; V328-F658 HydrophobicContact CG1-CD1 3.72Å; V328-F658 HydrophobicContact CG1-CE1 3.88Å; V328-F658 HydrophobicContact CG1-CG 4.37Å
329G92.1Very high83.7Confident9 Ų952.5 Ų52.59%0.09327%0.269CS..Hα-helixtrans-60-40.3175.800000113.7L325 H326 I327 V332 N333 F658L325-G329 PolarHBondContact O-N 3.15Å; H326-G329 WeakPolarHBondContact O-CA 3.43Å; H326-G329 PolarHBondContact O-N 3.07Å; H326-G329 VanDerWaalsContact O-N 3.16Å; I327-G329 VanDerWaalsContact C-N 3.27Å; I327-G329 PolarHBondContact O-N 2.86Å; G329-V332 PolarHBondContact O-N 2.92Å; G329-N333 WeakPolarHBondContact O-CB 3.47Å; G329-N333 VanDerWaalsContact O-CG 3.24Å; G329-N333 PolarHBondContact O-N 3.21Å; G329-N333 PolarHBondContact O-ND2 2.99Å; G329-N333 VanDerWaalsContact O-ND2 3.13Å; G329-F658 VanDerWaalsContact CA-CZ 3.46Å
330H92.3Very high86.3Confident24 Ų2451.7 Ų51.711%0.11127%0.265CS..Hα-helixtrans-57.9-49.4173.8-176.391.8000111H326 I327 V328 V332 N333 D334 S389 D390 M395H326-H330 PolarHBondContact O-N 3.09Å; I327-H330 WeakPolarHBondContact O-CB 3.4Å; I327-H330 PolarHBondContact O-N 2.82Å; V328-H330 VanDerWaalsContact C-N 3.34Å; V328-H330 PolarHBondContact O-N 3.41Å; H330-V332 PolarHBondContact O-N 3.1Å; H330-N333 PolarHBondContact O-N 3Å; H330-D334 PolarHBondContact O-N 3.15Å; H330-S389 PolarHBondContact NE2-OG 3.44Å; H330-D390 PolarHBondContact CE1-O 2.78Å; H330-D390 VanDerWaalsContact CE1-O 3.29Å; H330-M395 HydrophobicContact CB-CG 4.49Å; H330-M395 HydrophobicContact CB-SD 4.44Å
331F93.7Very high88.3Confident0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-69.5-30.1177.1-69.3-59.8000114.1I327 V328 L337 R338 I341 L386 M395 L566 V570 A573I327-F331 HydrophobicContact CG2-CD2 3.94Å; I327-F331 HydrophobicContact CG2-CE2 3.62Å; I327-F331 VanDerWaalsContact O-CD2 3.29Å; I327-F331 WeakPolarHBondContact O-CD2 3.38Å; I327-F331 PolarHBondContact O-N 2.82Å; I327-F331 VanDerWaalsContact O-N 3.15Å; V328-F331 PolarHBondContact O-N 3.21Å; F331-L337 HydrophobicContact CD1-CD2 3.93Å; F331-L337 HydrophobicContact CD1-CG 4.2Å; F331-L337 HydrophobicContact CE1-CD2 3.66Å; F331-L337 HydrophobicContact CE1-CG 3.98Å; F331-R338 WeakPolarHBondContact O-CB 3.1Å; F331-R338 WeakPolarHBondContact O-CD 3.33Å; F331-R338 PolarHBondContact O-NH1 2.93Å; F331-I341 HydrophobicContact CE1-CD1 3.72Å; F331-I341 HydrophobicContact CZ-CD1 4.32Å; F331-L386 HydrophobicContact CZ-CD2 4.47Å; F331-M395 HydrophobicContact CE1-CE 4.31Å; F331-M395 HydrophobicContact CE2-CE 4.07Å; F331-M395 HydrophobicContact CZ-CE 3.65Å; F331-L566 HydrophobicContact CE2-CD1 3.86Å; F331-L566 HydrophobicContact CZ-CD1 3.55Å; F331-V570 HydrophobicContact CD1-CG2 4.17Å; F331-V570 HydrophobicContact CD2-CG2 3.93Å; F331-V570 HydrophobicContact CE1-CG2 4.08Å; F331-V570 HydrophobicContact CE2-CG2 3.8Å; F331-V570 HydrophobicContact CG-CG2 4.11Å; F331-V570 HydrophobicContact CZ-CG2 3.89Å; F331-A573 HydrophobicContact CB-CB 3.51Å
332V93.8Very high90Very high29 Ų2951 Ų5118%0.17625%0.249CC..Hα-helixtrans-64-43.9174165.80000110.3V328 G329 H330 R338 A573 A576 V577 F658V328-V332 HydrophobicContact CG1-CG2 4.18Å; V328-V332 VanDerWaalsContact O-CG2 3.3Å; V328-V332 WeakPolarHBondContact O-CG2 3.48Å; V328-V332 PolarHBondContact O-N 2.74Å; G329-V332 PolarHBondContact O-N 2.92Å; H330-V332 PolarHBondContact O-N 3.1Å; V332-R338 PolarHBondContact O-NH1 3.43Å; V332-A573 HydrophobicContact CG2-CB 3.79Å; V332-A576 HydrophobicContact CG2-CB 4.15Å; V332-V577 HydrophobicContact CB-CG2 4.32Å; V332-V577 HydrophobicContact CG1-CG2 3.86Å; V332-V577 HydrophobicContact CG2-CG2 4.21Å; V332-F658 HydrophobicContact CB-CE2 4.16Å; V332-F658 HydrophobicContact CG1-CE2 4.01Å; V332-F658 HydrophobicContact CG2-CD2 4.14Å; V332-F658 HydrophobicContact CG2-CE2 3.93Å; V332-F658 HydrophobicContact CG2-CZ 4.31Å
333N93.3Very high90.9Very high139 Ų13952.7 Ų52.774%0.74325%0.254SS*.Hα-helixtrans-73.2-39.2-177.8-67.3-28000112.8G329 H330 K335G329-N333 WeakPolarHBondContact O-CB 3.47Å; G329-N333 VanDerWaalsContact O-CG 3.24Å; G329-N333 PolarHBondContact O-N 3.21Å; G329-N333 PolarHBondContact O-ND2 2.99Å; G329-N333 VanDerWaalsContact O-ND2 3.13Å; H330-N333 PolarHBondContact O-N 3Å; N333-K335 PolarHBondContact O-N 3.47Å
334D93.7Very high91.7Very high40 Ų4052.7 Ų52.721%0.21426%0.256CS..  trans-93.988.3178.3-166.5-21.3000112.5H330 K336 L337 R338 S389H330-D334 PolarHBondContact O-N 3.15Å; D334-K336 VanDerWaalsContact C-N 3.3Å; D334-K336 PolarHBondContact O-N 2.79Å; D334-K336 PolarHBondContact OD1-N 3.38Å; D334-L337 HydrophobicContact CB-CB 3.88Å; D334-L337 HydrophobicContact CB-CD2 4.48Å; D334-L337 PolarHBondContact O-N 2.92Å; D334-L337 WeakPolarHBondContact OD1-CB 3.37Å; D334-L337 PolarHBondContact OD1-N 3.2Å; D334-L337 WeakPolarHBondContact OD2-CB 3.28Å; D334-R338 WeakPolarHBondContact O-CB 3.42Å; D334-R338 PolarHBondContact O-N 2.99Å; D334-S389 WeakPolarHBondContact OD2-CB 2.83Å; D334-S389 PolarHBondContact OD2-OG 2.94Å
335K93.3Very high92.1Very high146 Ų14649.5 Ų49.564%0.63524%0.244SC*.Hα-helixtrans-57.6-39.7176.6178.6179.2176.3178.90112.8N333 C339N333-K335 PolarHBondContact O-N 3.47Å; K335-C339 WeakPolarHBondContact O-CB 3.5Å; K335-C339 PolarHBondContact O-N 3.27Å; K335-C339 PolarHBondContact O-SG 3.13Å; K335-C339 VanDerWaalsContact O-SG 3.39Å
336K93Very high92.5Very high181 Ų18150.1 Ų50.179%0.78725%0.248SC*.Hα-helixtrans-68.5-48.5-174.7-71.5-178.7-178.2174.90109.7D334 C339 L340D334-K336 VanDerWaalsContact C-N 3.3Å; D334-K336 PolarHBondContact O-N 2.79Å; D334-K336 PolarHBondContact OD1-N 3.38Å; K336-C339 PolarHBondContact O-N 3.47Å; K336-L340 VanDerWaalsContact O-CB 3.3Å; K336-L340 WeakPolarHBondContact O-CB 3.41Å; K336-L340 PolarHBondContact O-N 3.48Å
337L93.7Very high92.6Very high6 Ų650.8 Ų50.83%0.03126%0.264CS..Hα-helixtrans-59-49.6176.7-177.666.1000111.3F331 D334 C339 L340 I341 A385 L386F331-L337 HydrophobicContact CD1-CD2 3.93Å; F331-L337 HydrophobicContact CD1-CG 4.2Å; F331-L337 HydrophobicContact CE1-CD2 3.66Å; F331-L337 HydrophobicContact CE1-CG 3.98Å; D334-L337 HydrophobicContact CB-CB 3.88Å; D334-L337 HydrophobicContact CB-CD2 4.48Å; D334-L337 PolarHBondContact O-N 2.92Å; D334-L337 WeakPolarHBondContact OD1-CB 3.37Å; D334-L337 PolarHBondContact OD1-N 3.2Å; D334-L337 WeakPolarHBondContact OD2-CB 3.28Å; L337-C339 PolarHBondContact O-N 3.05Å; L337-L340 PolarHBondContact O-N 2.95Å; L337-I341 HydrophobicContact CD1-CD1 3.58Å; L337-I341 HydrophobicContact CD1-CG1 4.14Å; L337-I341 HydrophobicContact CG-CD1 3.83Å; L337-I341 WeakPolarHBondContact O-CB 3.39Å; L337-I341 WeakPolarHBondContact O-CG1 3.41Å; L337-I341 PolarHBondContact O-N 2.78Å; L337-A385 HydrophobicContact CD1-CB 4.35Å; L337-A385 WeakPolarHBondContact CD1-O 3.4Å; L337-L386 HydrophobicContact CD1-CD2 4.41Å; L337-L386 HydrophobicContact CD2-CD2 4.45Å
338R94.5Very high92.7Very high15 Ų1558.4 Ų58.46%0.05729%0.293CS..Hα-helixtrans-57.5-49.3179.7-175.1179.565.1-112.48112.3F331 V332 D334 H342 V570 V574F331-R338 WeakPolarHBondContact O-CB 3.1Å; F331-R338 WeakPolarHBondContact O-CD 3.33Å; F331-R338 PolarHBondContact O-NH1 2.93Å; V332-R338 PolarHBondContact O-NH1 3.43Å; D334-R338 WeakPolarHBondContact O-CB 3.42Å; D334-R338 PolarHBondContact O-N 2.99Å; R338-H342 WeakPolarHBondContact O-CB 3.38Å; R338-H342 PolarHBondContact O-N 2.9Å; R338-V570 HydrophobicContact CG-CG1 4.41Å; R338-V574 HydrophobicContact CG-CG2 3.89Å
339C93.2Very high92.8Very high44 Ų4459.6 Ų59.630%0.29730%0.298SS..Hα-helixtrans-63.9-43178.7-730000112K335 K336 L337 Q343K335-C339 WeakPolarHBondContact O-CB 3.5Å; K335-C339 PolarHBondContact O-N 3.27Å; K335-C339 PolarHBondContact O-SG 3.13Å; K335-C339 VanDerWaalsContact O-SG 3.39Å; K336-C339 PolarHBondContact O-N 3.47Å; L337-C339 PolarHBondContact O-N 3.05Å; C339-Q343 WeakPolarHBondContact O-CB 3.39Å; C339-Q343 PolarHBondContact O-N 2.91Å
340L93.7Very high92.7Very high58 Ų5860.7 Ų60.730%0.30430%0.304SS..Iπ-helixtrans-61.4-49178.7178.559.5000111.4K336 L337 N344 I345 A385K336-L340 VanDerWaalsContact O-CB 3.3Å; K336-L340 WeakPolarHBondContact O-CB 3.41Å; K336-L340 PolarHBondContact O-N 3.48Å; L337-L340 PolarHBondContact O-N 2.95Å; L340-N344 HydrophobicContact CD1-CB 4.18Å; L340-N344 VanDerWaalsContact O-CB 3.29Å; L340-N344 WeakPolarHBondContact O-CB 3.36Å; L340-N344 PolarHBondContact O-N 3.46Å; L340-N344 VanDerWaalsContact O-N 3.15Å; L340-I345 HydrophobicContact CG-CD1 4.14Å; L340-I345 PolarHBondContact O-N 3.3Å; L340-A385 HydrophobicContact CD2-CB 3.62Å; L340-A385 HydrophobicContact CG-CB 4.31Å
341I94Very high92.4Very high0 Ų063.4 Ų63.40%032%0.319CS..Iπ-helixtrans-66.8-52.1-179.6-69.8176.8000110.8F331 L337 I345 L346 L382 L386 L566 V570F331-I341 HydrophobicContact CE1-CD1 3.72Å; F331-I341 HydrophobicContact CZ-CD1 4.32Å; L337-I341 HydrophobicContact CD1-CD1 3.58Å; L337-I341 HydrophobicContact CD1-CG1 4.14Å; L337-I341 HydrophobicContact CG-CD1 3.83Å; L337-I341 WeakPolarHBondContact O-CB 3.39Å; L337-I341 WeakPolarHBondContact O-CG1 3.41Å; L337-I341 PolarHBondContact O-N 2.78Å; I341-I345 HydrophobicContact CG1-CD1 4.31Å; I341-I345 PolarHBondContact O-N 2.97Å; I341-L346 HydrophobicContact CG2-CD1 3.64Å; I341-L346 HydrophobicContact CG2-CD2 4.48Å; I341-L346 HydrophobicContact CG2-CG 3.71Å; I341-L346 WeakPolarHBondContact O-CB 3.48Å; I341-L346 WeakPolarHBondContact O-CG 3.47Å; I341-L346 PolarHBondContact O-N 3.29Å; I341-L382 HydrophobicContact CD1-CD1 3.92Å; I341-L382 HydrophobicContact CG1-CD1 3.94Å; I341-L382 HydrophobicContact CG2-CD1 4.46Å; I341-L386 HydrophobicContact CD1-CD2 3.88Å; I341-L386 HydrophobicContact CD1-CG 4.42Å; I341-L566 HydrophobicContact CG2-CD2 4.31Å; I341-V570 HydrophobicContact CG2-CG2 3.99Å
342H93.3Very high92.2Very high66 Ų6663.7 Ų63.731%0.30632%0.321SS..Iπ-helixtrans-64.2-51.1-174.7-176.659.2000113R338 V570 V574R338-H342 WeakPolarHBondContact O-CB 3.38Å; R338-H342 PolarHBondContact O-N 2.9Å; H342-V570 HydrophobicContact CB-CG1 3.76Å; H342-V574 HydrophobicContact CB-CG2 4.32Å
343Q90.5Very high91.4Very high129 Ų12964.1 Ų64.160%0.60332%0.32SS*.Iπ-helixtrans-87.4-31.5-170.6-62.8179.1-20.700113.1C339C339-Q343 WeakPolarHBondContact O-CB 3.39Å; C339-Q343 PolarHBondContact O-N 2.91Å
344N91Very high90.7Very high79 Ų7959.6 Ų59.642%0.42229%0.294SS..Iπ-helixtrans-108.2-37.6-170.8-59.5-34.8000114L340 R348L340-N344 HydrophobicContact CD1-CB 4.18Å; L340-N344 VanDerWaalsContact O-CB 3.29Å; L340-N344 WeakPolarHBondContact O-CB 3.36Å; L340-N344 PolarHBondContact O-N 3.46Å; L340-N344 VanDerWaalsContact O-N 3.15Å; N344-R348 VanDerWaalsContact O-CD 3.24Å; N344-R348 WeakPolarHBondContact O-CD 3.21Å; N344-R348 WeakPolarHBondContact O-CG 3.49Å; N344-R348 PolarHBondContact O-NE 2.95Å
345I93.1Very high90.3Very high3 Ų358.2 Ų58.22%0.01529%0.287CS..Iπ-helixtrans-95-58.2-172.4-57.6179.9000110.8L340 I341 A347 R348 F349 V381 L382 A385L340-I345 HydrophobicContact CG-CD1 4.14Å; L340-I345 PolarHBondContact O-N 3.3Å; I341-I345 HydrophobicContact CG1-CD1 4.31Å; I341-I345 PolarHBondContact O-N 2.97Å; I345-A347 VanDerWaalsContact C-N 3.29Å; I345-A347 PolarHBondContact O-N 3Å; I345-R348 WeakPolarHBondContact O-CB 3.4Å; I345-R348 PolarHBondContact O-N 3.16Å; I345-F349 HydrophobicContact CG2-CE2 3.82Å; I345-F349 HydrophobicContact CG2-CZ 4.03Å; I345-V381 HydrophobicContact CD1-CG1 4.29Å; I345-L382 HydrophobicContact CD1-CD1 4.36Å; I345-L382 HydrophobicContact CG2-CB 4.07Å; I345-L382 HydrophobicContact CG2-CD1 4.24Å; I345-A385 HydrophobicContact CD1-CB 3.8Å
346L93Very high89.9Confident15 Ų1551.5 Ų51.58%0.07926%0.258CS..G310 helixtrans-59.8-39.5-175.7-72.5175000112.3I341 R348 F349 I563 L566 D567 V570I341-L346 HydrophobicContact CG2-CD1 3.64Å; I341-L346 HydrophobicContact CG2-CD2 4.48Å; I341-L346 HydrophobicContact CG2-CG 3.71Å; I341-L346 WeakPolarHBondContact O-CB 3.48Å; I341-L346 WeakPolarHBondContact O-CG 3.47Å; I341-L346 PolarHBondContact O-N 3.29Å; L346-R348 PolarHBondContact O-N 2.51Å; L346-F349 HydrophobicContact CD2-CD2 3.98Å; L346-F349 HydrophobicContact CD2-CE2 4.08Å; L346-F349 PolarHBondContact O-N 2.96Å; L346-I563 HydrophobicContact CD2-CG2 3.95Å; L346-L566 HydrophobicContact CD2-CD2 4.21Å; L346-L566 HydrophobicContact CD2-CG 4.44Å; L346-D567 HydrophobicContact CD1-CB 4.14Å; L346-D567 HydrophobicContact CD2-CB 4.37Å; L346-V570 HydrophobicContact CD1-CB 4.28Å; L346-V570 HydrophobicContact CD1-CG1 4.31Å; L346-V570 HydrophobicContact CD1-CG2 4.47Å
347A89.9Confident88.9Confident80 Ų8043.5 Ų43.566%0.66122%0.223SC*.G310 helixtrans-60.3-14.2176.500000114.7I345I345-A347 VanDerWaalsContact C-N 3.29Å; I345-A347 PolarHBondContact O-N 3Å
348R90.6Very high88.1Confident164 Ų16445.2 Ų45.262%0.61923%0.232SC*.G310 helixtrans-92.2-16.1177.4-62.8177.1-176.8-171.5-0.2113.3N344 I345 L346N344-R348 VanDerWaalsContact O-CD 3.24Å; N344-R348 WeakPolarHBondContact O-CD 3.21Å; N344-R348 WeakPolarHBondContact O-CG 3.49Å; N344-R348 PolarHBondContact O-NE 2.95Å; I345-R348 WeakPolarHBondContact O-CB 3.4Å; I345-R348 PolarHBondContact O-N 3.16Å; L346-R348 PolarHBondContact O-N 2.51Å
349F92.7Very high87.6Confident24 Ų2444.7 Ų44.711%0.10523%0.231CC..  trans-75.8128.9178.8-65.2-57.8000109.8I345 L346 A375 C378 L382 F559 I563I345-F349 HydrophobicContact CG2-CE2 3.82Å; I345-F349 HydrophobicContact CG2-CZ 4.03Å; L346-F349 HydrophobicContact CD2-CD2 3.98Å; L346-F349 HydrophobicContact CD2-CE2 4.08Å; L346-F349 PolarHBondContact O-N 2.96Å; F349-A375 HydrophobicContact CD1-CB 3.88Å; F349-A375 HydrophobicContact CE1-CB 4.49Å; F349-A375 WeakPolarHBondContact CE1-O 3.46Å; F349-C378 HydrophobicContact CE1-CB 3.84Å; F349-C378 HydrophobicContact CZ-CB 4.22Å; F349-L382 HydrophobicContact CZ-CD2 4.44Å; F349-F559 AromaticContact CD1-CZ 3.82Å; F349-F559 HydrophobicContact CD1-CZ 3.82Å; F349-F559 HydrophobicContact CE1-CE2 4.12Å; F349-F559 AromaticContact CE1-CZ 3.6Å; F349-F559 HydrophobicContact CE1-CZ 3.6Å; F349-F559 HydrophobicContact CZ-CZ 4.41Å; F349-I563 HydrophobicContact CB-CG2 4.28Å; F349-I563 HydrophobicContact CD2-CD1 4.21Å; F349-I563 HydrophobicContact CD2-CG1 4.33Å; F349-I563 HydrophobicContact CD2-CG2 3.6Å; F349-I563 HydrophobicContact CE2-CD1 3.69Å; F349-I563 HydrophobicContact CE2-CG1 4.25Å; F349-I563 HydrophobicContact CE2-CG2 4.18Å; F349-I563 HydrophobicContact CG-CG2 4.07Å; F349-I563 HydrophobicContact CZ-CD1 3.92Å; F349-I563 HydrophobicContact CZ-CG1 4.47Å
350P90.7Very high86.8Confident33 Ų3343.6 Ų43.621%0.21422%0.222CC..  trans-72.6171.6168.735.2-35.6000109.8I352 I355 K371 A375P350-I352 PolarHBondContact O-N 3.04Å; P350-I355 HydrophobicContact CB-CD1 3.79Å; P350-I355 HydrophobicContact CG-CD1 3.92Å; P350-K371 HydrophobicContact CB-CB 4.3Å; P350-K371 HydrophobicContact CG-CB 4.21Å; P350-A375 HydrophobicContact CG-CB 4.08Å
351D86.5Confident85.8Confident81 Ų8142 Ų4243%0.43321%0.213SC..  trans-67.496.5166.4-172.1-25.5000110.1H353 K354 I355D351-H353 VanDerWaalsContact C-N 3.35Å; D351-H353 PolarHBondContact OD1-N 3.21Å; D351-K354 HydrophobicContact CB-CB 3.82Å; D351-K354 HydrophobicContact CB-CD 4.38Å; D351-K354 PolarHBondContact O-N 3.43Å; D351-K354 WeakPolarHBondContact OD1-CB 3.32Å; D351-K354 PolarHBondContact OD1-N 2.99Å; D351-I355 WeakPolarHBondContact O-CG1 3.38Å; D351-I355 PolarHBondContact O-N 2.87Å; D351-I355 VanDerWaalsContact O-N 3.13Å
352I88.7Confident85Confident6 Ų648 Ų483%0.03124%0.239CC..Hα-helixtrans-64.6-39.7-177-71.1156.3000110.9P350 I355 S356 M372 F556 F559 I563P350-I352 PolarHBondContact O-N 3.04Å; I352-I355 PolarHBondContact O-N 3.1Å; I352-S356 VanDerWaalsContact O-CB 3.22Å; I352-S356 WeakPolarHBondContact O-CB 3.42Å; I352-S356 PolarHBondContact O-N 3.3Å; I352-S356 PolarHBondContact O-OG 3.3Å; I352-M372 HydrophobicContact CG1-SD 4.44Å; I352-M372 HydrophobicContact CG2-CE 4.07Å; I352-F556 HydrophobicContact CG2-CB 4.42Å; I352-F556 WeakPolarHBondContact CG2-O 3.49Å; I352-F559 HydrophobicContact CD1-CD1 3.49Å; I352-F559 VanDerWaalsContact CD1-CD1 3.49Å; I352-F559 HydrophobicContact CD1-CD2 4.38Å; I352-F559 HydrophobicContact CD1-CE1 3.34Å; I352-F559 HydrophobicContact CD1-CE2 4.26Å; I352-F559 HydrophobicContact CD1-CG 4.02Å; I352-F559 HydrophobicContact CD1-CZ 3.75Å; I352-F559 HydrophobicContact CG1-CD1 4.18Å; I352-F559 HydrophobicContact CG1-CE1 4.07Å; I352-F559 HydrophobicContact CG2-CD1 4.47Å; I352-I563 HydrophobicContact CD1-CG1 4.46Å
353H78.1Confident84.3Confident37 Ų3751 Ų5117%0.17125%0.248CC..Hα-helixtrans-66.3-43.4-179.6-63.389000110.9L173 D351 S356 K357 G560 N561L173-H353 HydrophobicContact CD1-CB 3.97Å; L173-H353 HydrophobicContact CG-CB 4.35Å; D351-H353 VanDerWaalsContact C-N 3.35Å; D351-H353 PolarHBondContact OD1-N 3.21Å; H353-S356 WeakPolarHBondContact O-CB 3.5Å; H353-S356 PolarHBondContact O-N 3Å; H353-K357 PolarHBondContact O-N 3.18Å; H353-G560 PolarHBondContact CE1-O 3.07Å; H353-N561 PolarHBondContact NE2-OD1 2.99Å
354K78.3Confident83.9Confident44 Ų4445.3 Ų45.319%0.19122%0.222CC..Hα-helixtrans-59.8-47.5175.5-178171.9-173.6152.40112.5S140 E141 D144 D351 K357 L358S140-K354 WeakPolarHBondContact OG-CE 3.42Å; E141-K354 VanDerWaalsContact CG-NZ 3.32Å; D144-K354 IonicContact OD2-NZ 2.75Å; D351-K354 HydrophobicContact CB-CB 3.82Å; D351-K354 HydrophobicContact CB-CD 4.38Å; D351-K354 PolarHBondContact O-N 3.43Å; D351-K354 WeakPolarHBondContact OD1-CB 3.32Å; D351-K354 PolarHBondContact OD1-N 2.99Å; K354-K357 WeakPolarHBondContact O-CB 3.34Å; K354-K357 PolarHBondContact O-N 3.43Å; K354-L358 PolarHBondContact O-N 3.16Å; K354-L358 VanDerWaalsContact O-N 3.16Å
355I84.8Confident83.7Confident12 Ų1242.8 Ų42.86%0.06221%0.214CC..Hα-helixtrans-67.3-39.9178.1-63169.4000110.9P350 D351 I352 K357 L358 L359 V364 E368 K371 M372P350-I355 HydrophobicContact CB-CD1 3.79Å; P350-I355 HydrophobicContact CG-CD1 3.92Å; D351-I355 WeakPolarHBondContact O-CG1 3.38Å; D351-I355 PolarHBondContact O-N 2.87Å; D351-I355 VanDerWaalsContact O-N 3.13Å; I352-I355 PolarHBondContact O-N 3.1Å; I355-K357 PolarHBondContact O-N 2.96Å; I355-L358 PolarHBondContact O-N 3.28Å; I355-L359 WeakPolarHBondContact O-CB 3.46Å; I355-L359 PolarHBondContact O-N 3.12Å; I355-V364 HydrophobicContact CG2-CG2 4.42Å; I355-E368 HydrophobicContact CG2-CB 3.95Å; I355-K371 HydrophobicContact CD1-CB 3.93Å; I355-K371 HydrophobicContact CD1-CD 4.29Å; I355-M372 HydrophobicContact CB-CG 4.15Å; I355-M372 HydrophobicContact CB-SD 3.7Å; I355-M372 HydrophobicContact CD1-CG 4.11Å; I355-M372 HydrophobicContact CD1-SD 3.8Å; I355-M372 HydrophobicContact CG1-SD 4.35Å; I355-M372 HydrophobicContact CG2-CG 3.43Å; I355-M372 VanDerWaalsContact CG2-CG 3.43Å; I355-M372 HydrophobicContact CG2-SD 3.66Å
356S83.7Confident83.7Confident5 Ų543.3 Ų43.34%0.03522%0.217CC..Hα-helixtrans-57.9-37.5175.8-63.70000111.9I352 H353 L359 V360 L553I352-S356 VanDerWaalsContact O-CB 3.22Å; I352-S356 WeakPolarHBondContact O-CB 3.42Å; I352-S356 PolarHBondContact O-N 3.3Å; I352-S356 PolarHBondContact O-OG 3.3Å; H353-S356 WeakPolarHBondContact O-CB 3.5Å; H353-S356 PolarHBondContact O-N 3Å; S356-L359 WeakPolarHBondContact O-CB 3.5Å; S356-L359 PolarHBondContact O-N 2.95Å; S356-V360 WeakPolarHBondContact O-CG2 3.29Å; S356-V360 PolarHBondContact O-N 3.22Å; S356-L553 WeakPolarHBondContact O-CD1 3.29Å
357K72.4Confident83.6Confident12 Ų1243.9 Ų43.95%0.05222%0.222CC..Hα-helixtrans-67.5-45.3175.1-167.8-179.7-161.4179.80112.9E143 H353 K354 I355 L359 V360 K361E143-K357 IonicContact OE1-NZ 3.6Å; E143-K357 WeakPolarHBondContact OE2-CE 3.47Å; E143-K357 IonicContact OE2-NZ 3.82Å; E143-K357 PolarHBondContact OE2-NZ 2.85Å; H353-K357 PolarHBondContact O-N 3.18Å; K354-K357 WeakPolarHBondContact O-CB 3.34Å; K354-K357 PolarHBondContact O-N 3.43Å; I355-K357 PolarHBondContact O-N 2.96Å; K357-L359 PolarHBondContact O-N 3.36Å; K357-V360 WeakPolarHBondContact O-CB 3.27Å; K357-V360 PolarHBondContact O-N 2.78Å; K357-K361 PolarHBondContact O-N 3.17Å; K357-K361 VanDerWaalsContact O-N 3.08Å
358L78.1Confident83.7Confident43 Ų4341.9 Ų41.923%0.22520%0.199CC..Hα-helixtrans-61.1-33.8174.9-67.4174.7000111.3K354 I355 K361 K362 R363 V364K354-L358 PolarHBondContact O-N 3.16Å; K354-L358 VanDerWaalsContact O-N 3.16Å; I355-L358 PolarHBondContact O-N 3.28Å; L358-K361 CarbonylContact O-C 3.6Å; L358-K361 PolarHBondContact O-N 3.45Å; L358-K362 PolarHBondContact O-N 3.43Å; L358-R363 PolarHBondContact O-N 3Å; L358-V364 VanDerWaalsContact C-CG2 3.47Å; L358-V364 HydrophobicContact CB-CG2 3.62Å
359L83.2Confident83.8Confident4 Ų434.2 Ų34.22%0.02117%0.17CC..Hα-helixtrans-66.9-43.2177.9-175.165.2000111.3I355 S356 K357 K361 K362 V364 V546 T549 A550 F556I355-L359 WeakPolarHBondContact O-CB 3.46Å; I355-L359 PolarHBondContact O-N 3.12Å; S356-L359 WeakPolarHBondContact O-CB 3.5Å; S356-L359 PolarHBondContact O-N 2.95Å; K357-L359 PolarHBondContact O-N 3.36Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 3.48Å; L359-K362 PolarHBondContact O-N 2.95Å; L359-V364 HydrophobicContact CB-CG2 3.94Å; L359-V364 HydrophobicContact CD1-CB 4.24Å; L359-V364 HydrophobicContact CD1-CG1 4.2Å; L359-V364 HydrophobicContact CD1-CG2 4.31Å; L359-V364 VanDerWaalsContact N-CG2 3.3Å; L359-V546 HydrophobicContact CD1-CG1 4.14Å; L359-T549 HydrophobicContact CD1-CG2 3.91Å; L359-T549 HydrophobicContact CD2-CG2 3.88Å; L359-A550 HydrophobicContact CD1-CB 4.37Å; L359-A550 HydrophobicContact CG-CB 4.17Å; L359-F556 HydrophobicContact CD2-CD2 4.21Å; L359-F556 HydrophobicContact CD2-CE2 4.26Å
360V76.7Confident83.9Confident20 Ų2034.6 Ų34.612%0.12117%0.172CC..Hα-helixtrans-58-43.7172.4170.40000110.9C287 Q291 S356 K357 K362 L553C287-V360 HydrophobicContact CB-CG1 3.86Å; C287-V360 WeakPolarHBondContact O-CG1 3.47Å; Q291-V360 HydrophobicContact CG-CG1 4.29Å; S356-V360 WeakPolarHBondContact O-CG2 3.29Å; S356-V360 PolarHBondContact O-N 3.22Å; K357-V360 WeakPolarHBondContact O-CB 3.27Å; K357-V360 PolarHBondContact O-N 2.78Å; V360-K362 PolarHBondContact O-N 2.76Å; V360-K362 VanDerWaalsContact O-N 3.16Å; V360-L553 HydrophobicContact CG2-CD1 3.7Å; V360-L553 HydrophobicContact CG2-CD2 3.31Å; V360-L553 HydrophobicContact CG2-CG 4.15Å
361K72.6Confident84.1Confident24 Ų2437 Ų3710%0.10418%0.18CC..THydrogen-bonded Turntrans-72.6-0.3177.6-67.7-176.1170.9-1750114.4E133 E143 C287 K357 L358 L359 R363E133-K361 WeakPolarHBondContact OE1-CD 3.43Å; E133-K361 WeakPolarHBondContact OE1-CE 3.23Å; E133-K361 IonicContact OE1-NZ 3.6Å; E133-K361 PolarHBondContact OE1-NZ 3.31Å; E143-K361 IonicContact OE1-NZ 3.3Å; E143-K361 PolarHBondContact OE1-NZ 3.08Å; E143-K361 VanDerWaalsContact OE1-NZ 3.15Å; E143-K361 IonicContact OE2-NZ 3.13Å; E143-K361 PolarHBondContact OE2-NZ 3.2Å; C287-K361 HydrophobicContact CB-CG 4.3Å; K357-K361 PolarHBondContact O-N 3.17Å; K357-K361 VanDerWaalsContact O-N 3.08Å; L358-K361 CarbonylContact O-C 3.6Å; L358-K361 PolarHBondContact O-N 3.45Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 3.48Å; K361-R363 HydrophobicContact CB-CG 4.11Å; K361-R363 WeakPolarHBondContact O-CG 3.03Å; K361-R363 PolarHBondContact O-N 3.21Å; K361-R363 VanDerWaalsContact O-N 3.1Å
362K77.3Confident84.4Confident126 Ų12633.3 Ų33.355%0.54816%0.16SC..THydrogen-bonded Turntrans50.129.5-171-59.9-170.3176.2-168.40113.5L358 L359 V360 E547L358-K362 PolarHBondContact O-N 3.43Å; L359-K362 PolarHBondContact O-N 2.95Å; V360-K362 PolarHBondContact O-N 2.76Å; V360-K362 VanDerWaalsContact O-N 3.16Å; K362-E547 IonicContact NZ-OE1 3.9Å; K362-E547 PolarHBondContact NZ-OE1 3.1Å
363R77.9Confident84.8Confident129 Ų12934.1 Ų34.149%0.48716%0.163SC..  trans-100.416.8177.6-63.3-171.2-172.5-174.68.2112.8E133 L358 K361E133-R363 VanDerWaalsContact CD-CZ 3.43Å; E133-R363 IonicContact OE1-CZ 2.87Å; E133-R363 IonicContact OE1-NH1 2.92Å; E133-R363 PolarHBondContact OE1-NH1 3.35Å; E133-R363 IonicContact OE1-NH2 2.67Å; E133-R363 PolarHBondContact OE1-NH2 3.11Å; E133-R363 IonicContact OE2-CZ 3.22Å; E133-R363 IonicContact OE2-NH1 2.77Å; E133-R363 IonicContact OE2-NH2 2.63Å; E133-R363 PolarHBondContact OE2-NH2 3.2Å; L358-R363 PolarHBondContact O-N 3Å; K361-R363 HydrophobicContact CB-CG 4.11Å; K361-R363 WeakPolarHBondContact O-CG 3.03Å; K361-R363 PolarHBondContact O-N 3.21Å; K361-R363 VanDerWaalsContact O-N 3.1Å
364V83Confident85.5Confident11 Ų1134.8 Ų34.87%0.06717%0.171CC..  trans-85.9133.1179.11560000110.1I355 L358 L359 E368 I369 V546I355-V364 HydrophobicContact CG2-CG2 4.42Å; L358-V364 VanDerWaalsContact C-CG2 3.47Å; L358-V364 HydrophobicContact CB-CG2 3.62Å; L359-V364 HydrophobicContact CB-CG2 3.94Å; L359-V364 HydrophobicContact CD1-CB 4.24Å; L359-V364 HydrophobicContact CD1-CG1 4.2Å; L359-V364 HydrophobicContact CD1-CG2 4.31Å; L359-V364 VanDerWaalsContact N-CG2 3.3Å; V364-E368 HydrophobicContact CB-CB 4.42Å; V364-E368 HydrophobicContact CG1-CB 3.91Å; V364-E368 HydrophobicContact CG2-CB 4.08Å; V364-I369 HydrophobicContact CG1-CD1 4.1Å; V364-I369 HydrophobicContact CG1-CG1 3.5Å; V364-V546 HydrophobicContact CG1-CG2 4.34Å; V364-V546 WeakPolarHBondContact O-CG2 3.46Å
365G87.1Confident86.3Confident25 Ų2532.7 Ų32.726%0.25816%0.162SC..  trans-100.4-175.5168.800000112.3S367 E368 I369G365-S367 PolarHBondContact O-N 3.15Å; G365-E368 PolarHBondContact N-OE2 3.45Å; G365-E368 PolarHBondContact O-N 2.96Å; G365-I369 PolarHBondContact O-N 3.25Å
366L92.2Very high86.8Confident15 Ų1532.4 Ų32.48%0.07916%0.161CC..Hα-helixtrans-60.6-30174.8-71.1177.3000113.2H370 L421 Y432 I434 V542 M545L366-H370 VanDerWaalsContact O-CB 3.3Å; L366-H370 WeakPolarHBondContact O-CB 3.1Å; L366-H370 PolarHBondContact O-N 3.4Å; L366-L421 HydrophobicContact CB-CD1 4.27Å; L366-L421 HydrophobicContact CD1-CD1 4.23Å; L366-L421 HydrophobicContact CD2-CD1 4.13Å; L366-L421 HydrophobicContact CG-CD1 4.46Å; L366-Y432 HydrophobicContact CB-CD1 4.28Å; L366-Y432 HydrophobicContact CB-CG 4.12Å; L366-I434 HydrophobicContact CD1-CD1 4.18Å; L366-I434 HydrophobicContact CD1-CG1 4.4Å; L366-I434 HydrophobicContact CD2-CD1 3.87Å; L366-V542 HydrophobicContact CD1-CG2 3.83Å; L366-V542 HydrophobicContact CD2-CG1 4.37Å; L366-V542 HydrophobicContact CD2-CG2 3.95Å; L366-V542 HydrophobicContact CG-CG1 4.23Å; L366-V542 HydrophobicContact CG-CG2 3.79Å; L366-M545 HydrophobicContact CD2-SD 3.88Å
367S91.3Very high87.4Confident26 Ų2634.6 Ų34.618%0.18217%0.174CC..Hα-helixtrans-58.5-51.6175.8157.80000111.7G365 H370 K371G365-S367 PolarHBondContact O-N 3.15Å; S367-H370 PolarHBondContact O-N 3.04Å; S367-K371 WeakPolarHBondContact O-CG 3.39Å; S367-K371 PolarHBondContact O-N 3.17Å; S367-K371 WeakPolarHBondContact OG-CE 3.35Å; S367-K371 PolarHBondContact OG-NZ 3.46Å
368E91.6Very high88.4Confident38 Ų3834.4 Ų34.418%0.17817%0.174CC..Hα-helixtrans-69.6-39.1-176.2-73.459.2-118.400110.7I355 V364 G365 H370 K371 M372I355-E368 HydrophobicContact CG2-CB 3.95Å; V364-E368 HydrophobicContact CB-CB 4.42Å; V364-E368 HydrophobicContact CG1-CB 3.91Å; V364-E368 HydrophobicContact CG2-CB 4.08Å; G365-E368 PolarHBondContact N-OE2 3.45Å; G365-E368 PolarHBondContact O-N 2.96Å; E368-H370 VanDerWaalsContact C-N 3.32Å; E368-H370 PolarHBondContact O-N 3.08Å; E368-K371 PolarHBondContact O-N 2.87Å; E368-K371 IonicContact OE1-NZ 3.3Å; E368-K371 PolarHBondContact OE1-NZ 3.38Å; E368-M372 WeakPolarHBondContact O-CG 3.5Å; E368-M372 PolarHBondContact O-N 3.16Å
369I93.9Very high89.2Confident3 Ų332.4 Ų32.42%0.01516%0.164CC..Hα-helixtrans-60.5-43172.3-62.9176000111V364 G365 K371 M372 Y373 F413 V417 M545 V546V364-I369 HydrophobicContact CG1-CD1 4.1Å; V364-I369 HydrophobicContact CG1-CG1 3.5Å; G365-I369 PolarHBondContact O-N 3.25Å; I369-K371 PolarHBondContact O-N 3.36Å; I369-M372 PolarHBondContact O-N 2.93Å; I369-Y373 WeakPolarHBondContact O-CB 3.34Å; I369-Y373 PolarHBondContact O-N 3.45Å; I369-F413 HydrophobicContact CG2-CE2 4.24Å; I369-F413 HydrophobicContact CG2-CZ 4.3Å; I369-V417 HydrophobicContact CG2-CG2 3.93Å; I369-M545 HydrophobicContact CD1-CG 4.09Å; I369-M545 HydrophobicContact CD1-SD 4.15Å; I369-M545 HydrophobicContact CG2-CE 3.62Å; I369-M545 HydrophobicContact CG2-SD 4.48Å; I369-V546 HydrophobicContact CD1-CG2 3.97Å
370H94.5Very high89.8Confident32 Ų3235.2 Ų35.215%0.14818%0.182CC..Hα-helixtrans-65-37.7177.7177.8-104.6000112.6L366 S367 E368 Y373 S374 L421 F423 Y432L366-H370 VanDerWaalsContact O-CB 3.3Å; L366-H370 WeakPolarHBondContact O-CB 3.1Å; L366-H370 PolarHBondContact O-N 3.4Å; S367-H370 PolarHBondContact O-N 3.04Å; E368-H370 VanDerWaalsContact C-N 3.32Å; E368-H370 PolarHBondContact O-N 3.08Å; H370-Y373 WeakPolarHBondContact O-CB 3.3Å; H370-Y373 PolarHBondContact O-N 3.39Å; H370-S374 WeakPolarHBondContact O-CB 3.23Å; H370-S374 PolarHBondContact O-N 2.63Å; H370-S374 PolarHBondContact O-OG 3.33Å; H370-L421 HydrophobicContact CB-CD2 3.91Å; H370-L421 VanDerWaalsContact CD2-CD2 3.49Å; H370-L421 WeakPolarHBondContact CD2-CD2 3Å; H370-F423 AromaticContact CD2-CE1 3.58Å; H370-F423 AromaticContact NE2-CE1 3.58Å; H370-Y432 HydrophobicContact CB-CD1 4.26Å; H370-Y432 HydrophobicContact CB-CE1 3.67Å; H370-Y432 AromaticContact CG-CE1 3.82Å; H370-Y432 AromaticContact ND1-CE1 3.83Å
371K93.3Very high90.6Very high85 Ų8537.6 Ų37.637%0.3720%0.197SC..Hα-helixtrans-62.1-46.1173.3-70.2169.2-169.6162.40111.1P350 I355 S367 E368 I369 Y373 S374 A375P350-K371 HydrophobicContact CB-CB 4.3Å; P350-K371 HydrophobicContact CG-CB 4.21Å; I355-K371 HydrophobicContact CD1-CB 3.93Å; I355-K371 HydrophobicContact CD1-CD 4.29Å; S367-K371 WeakPolarHBondContact O-CG 3.39Å; S367-K371 PolarHBondContact O-N 3.17Å; S367-K371 WeakPolarHBondContact OG-CE 3.35Å; S367-K371 PolarHBondContact OG-NZ 3.46Å; E368-K371 PolarHBondContact O-N 2.87Å; E368-K371 IonicContact OE1-NZ 3.3Å; E368-K371 PolarHBondContact OE1-NZ 3.38Å; I369-K371 PolarHBondContact O-N 3.36Å; K371-Y373 VanDerWaalsContact C-N 3.35Å; K371-Y373 PolarHBondContact O-N 3.26Å; K371-S374 PolarHBondContact O-N 2.78Å; K371-A375 PolarHBondContact O-N 3.28Å
372M94.2Very high91.6Very high3 Ų336.5 Ų36.52%0.01519%0.192CC..Hα-helixtrans-62.2-41.8175.4-66-62.9-68.100111.9I352 I355 E368 I369 A375 V376 F413 F556I352-M372 HydrophobicContact CG1-SD 4.44Å; I352-M372 HydrophobicContact CG2-CE 4.07Å; I355-M372 HydrophobicContact CB-CG 4.15Å; I355-M372 HydrophobicContact CB-SD 3.7Å; I355-M372 HydrophobicContact CD1-CG 4.11Å; I355-M372 HydrophobicContact CD1-SD 3.8Å; I355-M372 HydrophobicContact CG1-SD 4.35Å; I355-M372 HydrophobicContact CG2-CG 3.43Å; I355-M372 VanDerWaalsContact CG2-CG 3.43Å; I355-M372 HydrophobicContact CG2-SD 3.66Å; E368-M372 WeakPolarHBondContact O-CG 3.5Å; E368-M372 PolarHBondContact O-N 3.16Å; I369-M372 PolarHBondContact O-N 2.93Å; M372-A375 WeakPolarHBondContact O-CB 3.38Å; M372-A375 PolarHBondContact O-N 2.91Å; M372-V376 VanDerWaalsContact O-CG2 3.32Å; M372-V376 WeakPolarHBondContact O-CG2 3.46Å; M372-V376 PolarHBondContact O-N 3.04Å; M372-F413 HydrophobicContact CB-CZ 4.24Å; M372-F556 HydrophobicContact CB-CE1 4.26Å; M372-F556 HydrophobicContact CB-CZ 4.24Å; M372-F556 HydrophobicContact CE-CB 3.9Å; M372-F556 HydrophobicContact CE-CD1 3.01Å; M372-F556 HydrophobicContact CE-CD2 3.81Å; M372-F556 HydrophobicContact CE-CE1 3.29Å; M372-F556 HydrophobicContact CE-CE2 4.03Å; M372-F556 HydrophobicContact CE-CG 3.31Å; M372-F556 HydrophobicContact CE-CZ 3.81Å
373Y95.8Very high92.5Very high23 Ų2331.7 Ų31.79%0.0917%0.172CC..Hα-helixtrans-59.1-46.7172.8165.6-94.6000112.2I369 H370 K371 A375 V376 V377 V414 V417 R418 F423I369-Y373 WeakPolarHBondContact O-CB 3.34Å; I369-Y373 PolarHBondContact O-N 3.45Å; H370-Y373 WeakPolarHBondContact O-CB 3.3Å; H370-Y373 PolarHBondContact O-N 3.39Å; K371-Y373 VanDerWaalsContact C-N 3.35Å; K371-Y373 PolarHBondContact O-N 3.26Å; Y373-A375 VanDerWaalsContact C-N 3.28Å; Y373-A375 PolarHBondContact O-N 3.46Å; Y373-V376 PolarHBondContact O-N 3.23Å; Y373-V377 HydrophobicContact CD1-CG2 4.47Å; Y373-V377 HydrophobicContact CD2-CG2 4.03Å; Y373-V377 HydrophobicContact CE1-CG2 4.06Å; Y373-V377 HydrophobicContact CE2-CG2 3.6Å; Y373-V377 HydrophobicContact CG-CG2 4.45Å; Y373-V377 WeakPolarHBondContact O-CB 3.36Å; Y373-V377 WeakPolarHBondContact O-CG2 3.35Å; Y373-V377 PolarHBondContact O-N 3.23Å; Y373-V414 HydrophobicContact CE2-CB 4.47Å; Y373-V414 HydrophobicContact CE2-CG1 3.91Å; Y373-V417 HydrophobicContact CD1-CG1 4.33Å; Y373-V417 HydrophobicContact CD2-CB 3.69Å; Y373-V417 HydrophobicContact CD2-CG1 3.71Å; Y373-V417 HydrophobicContact CD2-CG2 4.23Å; Y373-V417 HydrophobicContact CE2-CB 4.28Å; Y373-V417 HydrophobicContact CE2-CG1 4.33Å; Y373-V417 HydrophobicContact CG-CB 4.16Å; Y373-V417 HydrophobicContact CG-CG1 3.7Å; Y373-R418 HydrophobicContact CE2-CG 3.86Å; Y373-R418 WeakPolarHBondContact OH-CG 3.35Å; Y373-R418 PolarHBondContact OH-NE 2.87Å; Y373-F423 HydrophobicContact CD1-CE1 4.08Å; Y373-F423 HydrophobicContact CD1-CZ 4.05Å; Y373-F423 AromaticContact CE1-CE1 3.59Å; Y373-F423 HydrophobicContact CE1-CE1 3.59Å; Y373-F423 AromaticContact CE1-CZ 3.57Å; Y373-F423 HydrophobicContact CE1-CZ 3.57Å; Y373-F423 AromaticContact CZ-CZ 3.84Å
374S93.7Very high93.2Very high50 Ų5029.9 Ų29.935%0.3517%0.172SC..Hα-helixtrans-61.7-38.9178.8-60.60000111.6H370 K371 C378H370-S374 WeakPolarHBondContact O-CB 3.23Å; H370-S374 PolarHBondContact O-N 2.63Å; H370-S374 PolarHBondContact O-OG 3.33Å; K371-S374 PolarHBondContact O-N 2.78Å; S374-C378 PolarHBondContact O-N 2.86Å
375A95Very high93.6Very high0 Ų029.5 Ų29.50%017%0.17CC..Hα-helixtrans-61.1-53.9172.900000111.5F349 P350 K371 M372 Y373 V377 C378 F559F349-A375 HydrophobicContact CD1-CB 3.88Å; F349-A375 HydrophobicContact CE1-CB 4.49Å; F349-A375 WeakPolarHBondContact CE1-O 3.46Å; P350-A375 HydrophobicContact CG-CB 4.08Å; K371-A375 PolarHBondContact O-N 3.28Å; M372-A375 WeakPolarHBondContact O-CB 3.38Å; M372-A375 PolarHBondContact O-N 2.91Å; Y373-A375 VanDerWaalsContact C-N 3.28Å; Y373-A375 PolarHBondContact O-N 3.46Å; A375-V377 VanDerWaalsContact C-N 3.32Å; A375-V377 PolarHBondContact O-N 3.14Å; A375-C378 WeakPolarHBondContact O-CA 3.35Å; A375-C378 VanDerWaalsContact O-CB 3.3Å; A375-C378 WeakPolarHBondContact O-CB 3.29Å; A375-C378 PolarHBondContact O-N 2.94Å; A375-F559 HydrophobicContact CB-CE1 3.86Å; A375-F559 HydrophobicContact CB-CZ 4.18Å
376V96.1Very high93.9Very high7 Ų728.4 Ų28.44%0.04216%0.159CC..Hα-helixtrans-59.2-42-179.41680000112M372 Y373 C378 I379 F410 F413 V414 F556 F559M372-V376 VanDerWaalsContact O-CG2 3.32Å; M372-V376 WeakPolarHBondContact O-CG2 3.46Å; M372-V376 PolarHBondContact O-N 3.04Å; Y373-V376 PolarHBondContact O-N 3.23Å; V376-C378 PolarHBondContact O-N 3.09Å; V376-I379 HydrophobicContact CG1-CD1 4.5Å; V376-I379 WeakPolarHBondContact O-CB 3.5Å; V376-I379 WeakPolarHBondContact O-CG1 3.48Å; V376-I379 PolarHBondContact O-N 2.94Å; V376-F410 HydrophobicContact CB-CD2 4.47Å; V376-F410 HydrophobicContact CG1-CB 3.42Å; V376-F410 VanDerWaalsContact CG1-CB 3.42Å; V376-F410 HydrophobicContact CG1-CD2 3.92Å; V376-F410 HydrophobicContact CG1-CG 3.81Å; V376-F410 HydrophobicContact CG2-CB 4.36Å; V376-F410 HydrophobicContact CG2-CD1 4.15Å; V376-F410 HydrophobicContact CG2-CD2 3.76Å; V376-F410 HydrophobicContact CG2-CE1 4.36Å; V376-F410 HydrophobicContact CG2-CE2 3.98Å; V376-F410 HydrophobicContact CG2-CG 3.86Å; V376-F410 HydrophobicContact CG2-CZ 4.29Å; V376-F413 HydrophobicContact CG2-CD1 4.28Å; V376-F413 HydrophobicContact CG2-CE1 4.16Å; V376-V414 HydrophobicContact CB-CG2 4.5Å; V376-V414 HydrophobicContact CG1-CG2 3.48Å; V376-V414 VanDerWaalsContact CG1-CG2 3.48Å; V376-F556 HydrophobicContact CG2-CE1 3.91Å; V376-F559 HydrophobicContact CG2-CE1 4.37Å
377V94.9Very high93.6Very high51 Ų5131.4 Ų31.431%0.30918%0.181SC..Hα-helixtrans-65.8-19177.6171.90000112.6Y373 A375 P380 V414Y373-V377 HydrophobicContact CD1-CG2 4.47Å; Y373-V377 HydrophobicContact CD2-CG2 4.03Å; Y373-V377 HydrophobicContact CE1-CG2 4.06Å; Y373-V377 HydrophobicContact CE2-CG2 3.6Å; Y373-V377 HydrophobicContact CG-CG2 4.45Å; Y373-V377 WeakPolarHBondContact O-CB 3.36Å; Y373-V377 WeakPolarHBondContact O-CG2 3.35Å; Y373-V377 PolarHBondContact O-N 3.23Å; A375-V377 VanDerWaalsContact C-N 3.32Å; A375-V377 PolarHBondContact O-N 3.14Å; V377-P380 WeakPolarHBondContact O-CD 3.37Å; V377-V414 HydrophobicContact CG2-CG1 4.3Å; V377-V414 HydrophobicContact CG2-CG2 4.37Å
378C94.5Very high93.3Very high8 Ų836.7 Ų36.75%0.05420%0.202CC..Hα-helixtrans-82.8-13.2174.1-1580000113.1F349 S374 A375 V376 V381 L382F349-C378 HydrophobicContact CE1-CB 3.84Å; F349-C378 HydrophobicContact CZ-CB 4.22Å; S374-C378 PolarHBondContact O-N 2.86Å; A375-C378 WeakPolarHBondContact O-CA 3.35Å; A375-C378 VanDerWaalsContact O-CB 3.3Å; A375-C378 WeakPolarHBondContact O-CB 3.29Å; A375-C378 PolarHBondContact O-N 2.94Å; V376-C378 PolarHBondContact O-N 3.09Å; C378-V381 WeakPolarHBondContact O-CB 3.47Å; C378-V381 PolarHBondContact O-N 3.17Å; C378-V381 VanDerWaalsContact O-N 3.12Å; C378-L382 PolarHBondContact O-N 2.98Å
379I95.3Very high92.9Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-60-46.8179.4-60.3170.6000111.7V376 V381 L382 L383 L403 L406 V407 F410 F559V376-I379 HydrophobicContact CG1-CD1 4.5Å; V376-I379 WeakPolarHBondContact O-CB 3.5Å; V376-I379 WeakPolarHBondContact O-CG1 3.48Å; V376-I379 PolarHBondContact O-N 2.94Å; I379-V381 PolarHBondContact O-N 2.66Å; I379-L382 WeakPolarHBondContact O-CB 3.5Å; I379-L382 PolarHBondContact O-N 3.11Å; I379-L382 VanDerWaalsContact O-N 3.11Å; I379-L383 HydrophobicContact CG2-CD1 4.34Å; I379-L383 PolarHBondContact O-N 3.13Å; I379-L403 HydrophobicContact CG2-CB 4.22Å; I379-L403 HydrophobicContact CG2-CD2 3.96Å; I379-L406 HydrophobicContact CD1-CB 4.4Å; I379-V407 HydrophobicContact CB-CG2 4.02Å; I379-V407 HydrophobicContact CG2-CG2 3.39Å; I379-F410 HydrophobicContact CD1-CD2 4.03Å; I379-F410 HydrophobicContact CD1-CE2 4.19Å; I379-F559 HydrophobicContact CD1-CD1 4.49Å; I379-F559 HydrophobicContact CD1-CD2 3.92Å; I379-F559 HydrophobicContact CD1-CE1 4.25Å; I379-F559 HydrophobicContact CD1-CE2 3.65Å; I379-F559 HydrophobicContact CD1-CG 4.35Å; I379-F559 HydrophobicContact CD1-CZ 3.84Å; I379-F559 HydrophobicContact CG1-CD2 4.31Å; I379-F559 HydrophobicContact CG1-CE2 3.58Å; I379-F559 HydrophobicContact CG1-CZ 3.75Å
380P94.6Very high92.4Very high64 Ų6442.9 Ų42.942%0.41624%0.238SC..Hα-helixtrans-59.8-32.5174.9-2636.2000113.9V377 L383 D384 V407V377-P380 WeakPolarHBondContact O-CD 3.37Å; P380-L383 PolarHBondContact O-N 2.81Å; P380-D384 WeakPolarHBondContact O-CB 3.29Å; P380-D384 PolarHBondContact O-N 2.81Å; P380-V407 HydrophobicContact CG-CG2 4.25Å
381V93.8Very high91.7Very high70 Ų7043.4 Ų43.442%0.42424%0.244SC..Hα-helixtrans-68.8-38.1176.2-176.50000110.8I345 C378 I379 A385I345-V381 HydrophobicContact CD1-CG1 4.29Å; C378-V381 WeakPolarHBondContact O-CB 3.47Å; C378-V381 PolarHBondContact O-N 3.17Å; C378-V381 VanDerWaalsContact O-N 3.12Å; I379-V381 PolarHBondContact O-N 2.66Å; V381-A385 WeakPolarHBondContact O-CB 3.37Å; V381-A385 PolarHBondContact O-N 2.77Å
382L94.3Very high91.3Very high0 Ų041.6 Ų41.60%024%0.238CC..Hα-helixtrans-65.3-42.9172.9178.258.7000111.7I341 I345 F349 C378 I379 A385 L386 L403 I563 L566I341-L382 HydrophobicContact CD1-CD1 3.92Å; I341-L382 HydrophobicContact CG1-CD1 3.94Å; I341-L382 HydrophobicContact CG2-CD1 4.46Å; I345-L382 HydrophobicContact CD1-CD1 4.36Å; I345-L382 HydrophobicContact CG2-CB 4.07Å; I345-L382 HydrophobicContact CG2-CD1 4.24Å; F349-L382 HydrophobicContact CZ-CD2 4.44Å; C378-L382 PolarHBondContact O-N 2.98Å; I379-L382 WeakPolarHBondContact O-CB 3.5Å; I379-L382 PolarHBondContact O-N 3.11Å; I379-L382 VanDerWaalsContact O-N 3.11Å; L382-A385 PolarHBondContact O-N 2.82Å; L382-L386 HydrophobicContact CD1-CD1 4.21Å; L382-L386 HydrophobicContact CD1-CG 4.26Å; L382-L386 HydrophobicContact CG-CD1 4.12Å; L382-L386 WeakPolarHBondContact O-CG 3.3Å; L382-L386 PolarHBondContact O-N 3Å; L382-L403 HydrophobicContact CD2-CD1 3.69Å; L382-L403 HydrophobicContact CD2-CD2 4.15Å; L382-L403 HydrophobicContact CG-CD1 3.98Å; L382-I563 HydrophobicContact CD2-CD1 3.78Å; L382-L566 HydrophobicContact CD1-CD2 3.94Å; L382-L566 HydrophobicContact CD2-CD2 3.75Å; L382-L566 HydrophobicContact CG-CD2 4.44Å
383L94.5Very high90.9Very high26 Ų2646.1 Ų46.114%0.13627%0.27CS..Hα-helixtrans-61.8-43.7175.6-78.7172.1000112.2I379 P380 L386 S387 V400 L403 K404 V407I379-L383 HydrophobicContact CG2-CD1 4.34Å; I379-L383 PolarHBondContact O-N 3.13Å; P380-L383 PolarHBondContact O-N 2.81Å; L383-L386 PolarHBondContact O-N 3.5Å; L383-S387 WeakPolarHBondContact O-CB 3.25Å; L383-S387 PolarHBondContact O-N 2.88Å; L383-S387 PolarHBondContact O-OG 2.89Å; L383-V400 HydrophobicContact CD2-CG1 3.87Å; L383-L403 HydrophobicContact CD1-CB 4.32Å; L383-L403 HydrophobicContact CD2-CB 3.6Å; L383-L403 HydrophobicContact CD2-CD1 4.19Å; L383-L403 HydrophobicContact CG-CB 3.97Å; L383-K404 HydrophobicContact CD1-CG 4.14Å; L383-K404 HydrophobicContact CD2-CG 4.11Å; L383-V407 HydrophobicContact CD1-CG2 3.78Å
384D93Very high90.3Very high91 Ų9146.4 Ų46.449%0.48727%0.274SS..Hα-helixtrans-60.6-46.7175.8-175.266.3000110.9P380 L386 S387 Q388P380-D384 WeakPolarHBondContact O-CB 3.29Å; P380-D384 PolarHBondContact O-N 2.81Å; D384-L386 PolarHBondContact O-N 3.17Å; D384-S387 WeakPolarHBondContact CA-OG 3.34Å; D384-S387 PolarHBondContact O-N 3.44Å; D384-S387 PolarHBondContact O-OG 2.67Å; D384-Q388 WeakPolarHBondContact O-CG 3.04Å; D384-Q388 PolarHBondContact O-N 3.21Å; D384-Q388 PolarHBondContact OD2-NE2 2.89Å
385A92.8Very high89.9Confident3 Ų344 Ų443%0.02526%0.257CS..Hα-helixtrans-58.2-46.5175.900000112.4L337 L340 I345 V381 L382 Q388L337-A385 HydrophobicContact CD1-CB 4.35Å; L337-A385 WeakPolarHBondContact CD1-O 3.4Å; L340-A385 HydrophobicContact CD2-CB 3.62Å; L340-A385 HydrophobicContact CG-CB 4.31Å; I345-A385 HydrophobicContact CD1-CB 3.8Å; V381-A385 WeakPolarHBondContact O-CB 3.37Å; V381-A385 PolarHBondContact O-N 2.77Å; L382-A385 PolarHBondContact O-N 2.82Å; A385-Q388 PolarHBondContact O-N 3.5Å
386L91.7Very high89.6Confident2 Ų247.2 Ų47.21%0.0127%0.272CS..Hα-helixtrans-63.4-41177.1-71.2169.4000111.5F331 L337 I341 L382 L383 D384 Q388 S389 V391 M395 F399 V400 L403F331-L386 HydrophobicContact CZ-CD2 4.47Å; L337-L386 HydrophobicContact CD1-CD2 4.41Å; L337-L386 HydrophobicContact CD2-CD2 4.45Å; I341-L386 HydrophobicContact CD1-CD2 3.88Å; I341-L386 HydrophobicContact CD1-CG 4.42Å; L382-L386 HydrophobicContact CD1-CD1 4.21Å; L382-L386 HydrophobicContact CD1-CG 4.26Å; L382-L386 HydrophobicContact CG-CD1 4.12Å; L382-L386 WeakPolarHBondContact O-CG 3.3Å; L382-L386 PolarHBondContact O-N 3Å; L383-L386 PolarHBondContact O-N 3.5Å; D384-L386 PolarHBondContact O-N 3.17Å; L386-Q388 PolarHBondContact O-N 3.32Å; L386-S389 PolarHBondContact O-N 2.93Å; L386-S389 VanDerWaalsContact O-N 3.16Å; L386-V391 WeakPolarHBondContact O-CG2 3.31Å; L386-M395 HydrophobicContact CD2-CE 3.93Å; L386-F399 HydrophobicContact CD1-CB 4.28Å; L386-V400 HydrophobicContact CB-CG2 4.21Å; L386-V400 HydrophobicContact CD1-CG2 4.21Å; L386-L403 HydrophobicContact CD1-CD1 3.76Å
387S87Confident89.1Confident78 Ų7853.3 Ų53.355%0.54530%0.3SS..Hα-helixtrans-68.9-17.7-178.872.10000115L383 D384 S389L383-S387 WeakPolarHBondContact O-CB 3.25Å; L383-S387 PolarHBondContact O-N 2.88Å; L383-S387 PolarHBondContact O-OG 2.89Å; D384-S387 WeakPolarHBondContact CA-OG 3.34Å; D384-S387 PolarHBondContact O-N 3.44Å; D384-S387 PolarHBondContact O-OG 2.67Å; S387-S389 VanDerWaalsContact C-N 3.27Å
388Q84.4Confident88.5Confident136 Ų13655.1 Ų55.164%0.63630%0.302SS*.THydrogen-bonded Turntrans-77.7-13.2174.8-71.4174.121.200113D384 A385 L386D384-Q388 WeakPolarHBondContact O-CG 3.04Å; D384-Q388 PolarHBondContact O-N 3.21Å; D384-Q388 PolarHBondContact OD2-NE2 2.89Å; A385-Q388 PolarHBondContact O-N 3.5Å; L386-Q388 PolarHBondContact O-N 3.32Å
389S83.3Confident88.2Confident18 Ų1854.9 Ų54.913%0.12630%0.3CS..SBendtrans-98.7164.3175.2-160.50000110.9H330 D334 L386 S387 V391H330-S389 PolarHBondContact NE2-OG 3.44Å; D334-S389 WeakPolarHBondContact OD2-CB 2.83Å; D334-S389 PolarHBondContact OD2-OG 2.94Å; L386-S389 PolarHBondContact O-N 2.93Å; L386-S389 VanDerWaalsContact O-N 3.16Å; S387-S389 VanDerWaalsContact C-N 3.27Å; S389-V391 PolarHBondContact O-N 3.5Å
390D83.7Confident88Confident153 Ų15355.2 Ų55.282%0.81830%0.302SS*.  trans-73.680.1174.5-73.1-33.3000109.6H330 D392H330-D390 PolarHBondContact CE1-O 2.78Å; H330-D390 VanDerWaalsContact CE1-O 3.29Å; D390-D392 PolarHBondContact O-N 3.32Å
391V79.5Confident87.9Confident44 Ų4453.9 Ų53.927%0.26730%0.296SS..  trans-66111.4178.5-176.40000109.3L386 S389 M395 E396 V400L386-V391 WeakPolarHBondContact O-CG2 3.31Å; S389-V391 PolarHBondContact O-N 3.5Å; V391-M395 HydrophobicContact CG1-CB 3.65Å; V391-E396 HydrophobicContact CG1-CB 4.07Å; V391-V400 HydrophobicContact CG1-CG2 3.86Å; V391-V400 HydrophobicContact CG2-CG2 4.47Å
392D84.6Confident87.7Confident47 Ų4751.6 Ų51.625%0.25128%0.283SS..  trans-79.5175.3170.559.241.7000112.3H326 D390 V394 M395 E396H326-D392 IonicContact CD2-OD2 2.71Å; H326-D392 IonicContact CE1-OD2 2.97Å; H326-D392 IonicContact NE2-OD1 3.02Å; H326-D392 IonicContact NE2-OD2 3.5Å; H326-D392 PolarHBondContact NE2-OD2 2.7Å; D390-D392 PolarHBondContact O-N 3.32Å; D392-V394 PolarHBondContact O-N 2.93Å; D392-V394 WeakPolarHBondContact OD1-CB 3.41Å; D392-V394 PolarHBondContact OD1-N 3.36Å; D392-V394 VanDerWaalsContact OD1-N 3.1Å; D392-M395 PolarHBondContact O-N 3.02Å; D392-M395 WeakPolarHBondContact OD1-CG 3.28Å; D392-M395 PolarHBondContact OD1-N 2.92Å; D392-E396 PolarHBondContact O-N 2.66Å
393S85.4Confident87.7Confident97 Ų9751.6 Ų51.668%0.67828%0.283SS*.Hα-helixtrans-59.2-31.7-178.857.20000113.3E397S393-E397 WeakPolarHBondContact O-CB 3.4Å; S393-E397 PolarHBondContact O-N 3.37Å
394V84.1Confident87.7Confident30 Ų3055.5 Ų55.518%0.18230%0.299CS..Hα-helixtrans-71.7-47.3-179-177.10000109.7I327 D392 E396 E397 Y398I327-V394 HydrophobicContact CD1-CG1 4.35Å; I327-V394 HydrophobicContact CG1-CG1 4.11Å; D392-V394 PolarHBondContact O-N 2.93Å; D392-V394 WeakPolarHBondContact OD1-CB 3.41Å; D392-V394 PolarHBondContact OD1-N 3.36Å; D392-V394 VanDerWaalsContact OD1-N 3.1Å; V394-E396 VanDerWaalsContact C-N 3.3Å; V394-E396 PolarHBondContact O-N 3.21Å; V394-E397 PolarHBondContact O-N 3.41Å; V394-Y398 HydrophobicContact CG1-CD2 3.79Å; V394-Y398 HydrophobicContact CG1-CE2 4.21Å; V394-Y398 WeakPolarHBondContact O-CB 3.18Å; V394-Y398 WeakPolarHBondContact O-CD2 3.21Å; V394-Y398 PolarHBondContact O-N 3.49Å
395M86.1Confident87.8Confident0 Ų055.9 Ų55.90%030%0.3CS..Hα-helixtrans-63-36.7175.6-71.2-63.5-67.200112.2I327 H330 F331 L386 V391 D392 F399 V400I327-M395 HydrophobicContact CB-SD 4.22Å; I327-M395 HydrophobicContact CG1-SD 3.93Å; I327-M395 HydrophobicContact CG2-SD 3.86Å; H330-M395 HydrophobicContact CB-CG 4.49Å; H330-M395 HydrophobicContact CB-SD 4.44Å; F331-M395 HydrophobicContact CE1-CE 4.31Å; F331-M395 HydrophobicContact CE2-CE 4.07Å; F331-M395 HydrophobicContact CZ-CE 3.65Å; L386-M395 HydrophobicContact CD2-CE 3.93Å; V391-M395 HydrophobicContact CG1-CB 3.65Å; D392-M395 PolarHBondContact O-N 3.02Å; D392-M395 WeakPolarHBondContact OD1-CG 3.28Å; D392-M395 PolarHBondContact OD1-N 2.92Å; M395-F399 HydrophobicContact CE-CD2 4.14Å; M395-F399 PolarHBondContact O-N 3.35Å; M395-F399 VanDerWaalsContact O-N 3.07Å; M395-F399 HydrophobicContact SD-CD2 4.21Å; M395-V400 PolarHBondContact O-N 2.86Å
396E88.5Confident87.9Confident67 Ų6755.8 Ų55.831%0.31330%0.299SS..Iπ-helixtrans-65.3-47176.2-173.670.8-157.700111.5V391 D392 V394 V400 A401 K404V391-E396 HydrophobicContact CG1-CB 4.07Å; D392-E396 PolarHBondContact O-N 2.66Å; V394-E396 VanDerWaalsContact C-N 3.3Å; V394-E396 PolarHBondContact O-N 3.21Å; E396-V400 PolarHBondContact O-N 3.44Å; E396-V400 WeakPolarHBondContact OE2-CB 3.44Å; E396-V400 VanDerWaalsContact OE2-CG1 3.24Å; E396-V400 WeakPolarHBondContact OE2-CG1 3.43Å; E396-A401 VanDerWaalsContact O-CB 3.3Å; E396-A401 WeakPolarHBondContact O-CB 3.42Å; E396-A401 PolarHBondContact O-N 2.76Å; E396-K404 IonicContact OE1-NZ 3.75Å; E396-K404 PolarHBondContact OE1-NZ 3.15Å; E396-K404 IonicContact OE2-NZ 2.91Å
397E84.1Confident88.1Confident134 Ų13458.1 Ų58.163%0.62631%0.314SS*.Iπ-helixtrans-65.6-45.6-179.8-178.2173.1-178.200112.4S393 V394 P402S393-E397 WeakPolarHBondContact O-CB 3.4Å; S393-E397 PolarHBondContact O-N 3.37Å; V394-E397 PolarHBondContact O-N 3.41Å; E397-P402 VanDerWaalsContact O-CD 3.25Å; E397-P402 WeakPolarHBondContact O-CD 3.4Å; E397-P402 WeakPolarHBondContact O-CG 3.43Å
398Y82.9Confident88.5Confident89 Ų8957.7 Ų57.735%0.34932%0.315SS..Iπ-helixtrans-80.9-34.2-172.8-87.2-82.6000114.3E323 I327 V394 L562E323-Y398 HydrophobicContact CB-CE2 4.24Å; E323-Y398 HydrophobicContact CG-CE2 4.4Å; E323-Y398 PolarHBondContact OE2-OH 2.89Å; I327-Y398 HydrophobicContact CD1-CD2 4.34Å; I327-Y398 HydrophobicContact CD1-CG 4.11Å; V394-Y398 HydrophobicContact CG1-CD2 3.79Å; V394-Y398 HydrophobicContact CG1-CE2 4.21Å; V394-Y398 WeakPolarHBondContact O-CB 3.18Å; V394-Y398 WeakPolarHBondContact O-CD2 3.21Å; V394-Y398 PolarHBondContact O-N 3.49Å; Y398-L562 VanDerWaalsContact O-CD1 3.27Å; Y398-L562 WeakPolarHBondContact O-CD1 3.25Å
399F87.9Confident89.1Confident4 Ų455 Ų552%0.01831%0.305CS..Iπ-helixtrans-124.6-55.1-175.1-64.1-71000113.5I327 L386 M395 P402 L403 L562 L566 L569I327-F399 HydrophobicContact CD1-CE2 3.94Å; I327-F399 HydrophobicContact CG1-CE2 4.35Å; I327-F399 HydrophobicContact CG2-CE2 3.85Å; L386-F399 HydrophobicContact CD1-CB 4.28Å; M395-F399 HydrophobicContact CE-CD2 4.14Å; M395-F399 PolarHBondContact O-N 3.35Å; M395-F399 VanDerWaalsContact O-N 3.07Å; M395-F399 HydrophobicContact SD-CD2 4.21Å; F399-P402 WeakPolarHBondContact O-CD 3.48Å; F399-L403 HydrophobicContact CB-CD1 4.39Å; F399-L403 VanDerWaalsContact O-CB 3.25Å; F399-L403 WeakPolarHBondContact O-CB 3.12Å; F399-L403 WeakPolarHBondContact O-CD1 3.24Å; F399-L403 WeakPolarHBondContact O-CG 3.49Å; F399-L403 PolarHBondContact O-N 3.3Å; F399-L562 HydrophobicContact CD1-CD1 3.66Å; F399-L562 HydrophobicContact CD1-CG 4.23Å; F399-L562 HydrophobicContact CE1-CD1 3.94Å; F399-L566 HydrophobicContact CD1-CB 4.18Å; F399-L566 HydrophobicContact CD1-CD1 4.19Å; F399-L566 HydrophobicContact CE1-CB 3.64Å; F399-L566 HydrophobicContact CE1-CD1 4Å; F399-L566 HydrophobicContact CE1-CG 4.37Å; F399-L566 HydrophobicContact CE2-CD1 4.41Å; F399-L566 HydrophobicContact CZ-CB 4.28Å; F399-L566 HydrophobicContact CZ-CD1 4.13Å; F399-L569 HydrophobicContact CE2-CD1 4.37Å; F399-L569 HydrophobicContact CZ-CD1 3.93Å
400V92.4Very high89.7Confident6 Ų654.2 Ų54.24%0.03630%0.299CS..Iπ-helixtrans-66.5-47.7-167.3-176.70000112L383 L386 V391 M395 E396 L403 K404L383-V400 HydrophobicContact CD2-CG1 3.87Å; L386-V400 HydrophobicContact CB-CG2 4.21Å; L386-V400 HydrophobicContact CD1-CG2 4.21Å; V391-V400 HydrophobicContact CG1-CG2 3.86Å; V391-V400 HydrophobicContact CG2-CG2 4.47Å; M395-V400 PolarHBondContact O-N 2.86Å; E396-V400 PolarHBondContact O-N 3.44Å; E396-V400 WeakPolarHBondContact OE2-CB 3.44Å; E396-V400 VanDerWaalsContact OE2-CG1 3.24Å; E396-V400 WeakPolarHBondContact OE2-CG1 3.43Å; V400-L403 PolarHBondContact O-N 3.34Å; V400-K404 HydrophobicContact CG1-CD 4.13Å; V400-K404 VanDerWaalsContact CG1-CE 3.45Å; V400-K404 VanDerWaalsContact O-CG 3.31Å; V400-K404 WeakPolarHBondContact O-CG 3.48Å; V400-K404 PolarHBondContact O-N 3.43Å
401A91Very high90.3Very high36 Ų3650.8 Ų50.830%0.29828%0.281SS..Hα-helixtrans-65-47.6179.200000112.5E396 L403 K404 I405E396-A401 VanDerWaalsContact O-CB 3.3Å; E396-A401 WeakPolarHBondContact O-CB 3.42Å; E396-A401 PolarHBondContact O-N 2.76Å; A401-L403 PolarHBondContact O-N 2.85Å; A401-K404 PolarHBondContact O-N 3.18Å; A401-I405 WeakPolarHBondContact O-CG1 3.38Å; A401-I405 PolarHBondContact O-N 3.36Å; A401-I405 VanDerWaalsContact O-N 3.14Å
402P90.3Very high91.1Very high23 Ų2355.9 Ų55.915%0.14930%0.299CS..Hα-helixtrans-58.5-41.9172.7-2836.3000113.9E397 F399 K404 I405 L406 L562E397-P402 VanDerWaalsContact O-CD 3.25Å; E397-P402 WeakPolarHBondContact O-CD 3.4Å; E397-P402 WeakPolarHBondContact O-CG 3.43Å; F399-P402 WeakPolarHBondContact O-CD 3.48Å; P402-K404 PolarHBondContact O-N 3.12Å; P402-I405 PolarHBondContact O-N 3.1Å; P402-L406 WeakPolarHBondContact O-CG 3.34Å; P402-L406 PolarHBondContact O-N 3.14Å; P402-L562 HydrophobicContact CB-CD1 4.47Å; P402-L562 HydrophobicContact CB-CD2 3.8Å
403L94.5Very high91.6Very high0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-64.4-39.5177.1-72.5170.2000111.8I379 L382 L383 L386 F399 V400 A401 I405 L406 V407 L562I379-L403 HydrophobicContact CG2-CB 4.22Å; I379-L403 HydrophobicContact CG2-CD2 3.96Å; L382-L403 HydrophobicContact CD2-CD1 3.69Å; L382-L403 HydrophobicContact CD2-CD2 4.15Å; L382-L403 HydrophobicContact CG-CD1 3.98Å; L383-L403 HydrophobicContact CD1-CB 4.32Å; L383-L403 HydrophobicContact CD2-CB 3.6Å; L383-L403 HydrophobicContact CD2-CD1 4.19Å; L383-L403 HydrophobicContact CG-CB 3.97Å; L386-L403 HydrophobicContact CD1-CD1 3.76Å; F399-L403 HydrophobicContact CB-CD1 4.39Å; F399-L403 VanDerWaalsContact O-CB 3.25Å; F399-L403 WeakPolarHBondContact O-CB 3.12Å; F399-L403 WeakPolarHBondContact O-CD1 3.24Å; F399-L403 WeakPolarHBondContact O-CG 3.49Å; F399-L403 PolarHBondContact O-N 3.3Å; V400-L403 PolarHBondContact O-N 3.34Å; A401-L403 PolarHBondContact O-N 2.85Å; L403-I405 VanDerWaalsContact C-N 3.32Å; L403-I405 PolarHBondContact O-N 3.43Å; L403-L406 HydrophobicContact CD2-CD1 4.49Å; L403-L406 PolarHBondContact O-N 2.84Å; L403-V407 WeakPolarHBondContact O-CG2 3.3Å; L403-V407 PolarHBondContact O-N 3.34Å; L403-L562 HydrophobicContact CD2-CD2 3.57Å; L403-L562 HydrophobicContact CD2-CG 4.41Å; L403-L562 HydrophobicContact CG-CD2 3.72Å
404K95.3Very high92.2Very high107 Ų10749.9 Ų49.947%0.46526%0.26SS..Hα-helixtrans-60.4-41.1174.6-75.9168.3-178.31610111.8L383 E396 V400 A401 P402 V407 A408L383-K404 HydrophobicContact CD1-CG 4.14Å; L383-K404 HydrophobicContact CD2-CG 4.11Å; E396-K404 IonicContact OE1-NZ 3.75Å; E396-K404 PolarHBondContact OE1-NZ 3.15Å; E396-K404 IonicContact OE2-NZ 2.91Å; V400-K404 HydrophobicContact CG1-CD 4.13Å; V400-K404 VanDerWaalsContact CG1-CE 3.45Å; V400-K404 VanDerWaalsContact O-CG 3.31Å; V400-K404 WeakPolarHBondContact O-CG 3.48Å; V400-K404 PolarHBondContact O-N 3.43Å; A401-K404 PolarHBondContact O-N 3.18Å; P402-K404 PolarHBondContact O-N 3.12Å; K404-V407 PolarHBondContact O-N 2.89Å; K404-A408 PolarHBondContact O-N 3.23Å
405I95Very high92.7Very high100 Ų10053.5 Ų53.551%0.51328%0.275SS..Hα-helixtrans-63.1-46.5175.5-64.9166.9000110.2A401 P402 L403 V407 A408 D409A401-I405 WeakPolarHBondContact O-CG1 3.38Å; A401-I405 PolarHBondContact O-N 3.36Å; A401-I405 VanDerWaalsContact O-N 3.14Å; P402-I405 PolarHBondContact O-N 3.1Å; L403-I405 VanDerWaalsContact C-N 3.32Å; L403-I405 PolarHBondContact O-N 3.43Å; I405-V407 VanDerWaalsContact C-N 3.32Å; I405-V407 PolarHBondContact O-N 3.28Å; I405-A408 WeakPolarHBondContact O-CB 3.42Å; I405-A408 PolarHBondContact O-N 2.96Å; I405-D409 PolarHBondContact O-N 3.28Å
406L95Very high93.2Very high0 Ų055.3 Ų55.30%028%0.284CS..Hα-helixtrans-60.1-38.6178.2-74.1172.9000113.1I379 P402 L403 A408 D409 F410 P555 H558 F559 L562I379-L406 HydrophobicContact CD1-CB 4.4Å; P402-L406 WeakPolarHBondContact O-CG 3.34Å; P402-L406 PolarHBondContact O-N 3.14Å; L403-L406 HydrophobicContact CD2-CD1 4.49Å; L403-L406 PolarHBondContact O-N 2.84Å; L406-A408 VanDerWaalsContact C-N 3.3Å; L406-A408 PolarHBondContact O-N 3.21Å; L406-D409 PolarHBondContact O-N 2.68Å; L406-F410 HydrophobicContact CB-CD2 4.34Å; L406-F410 HydrophobicContact CB-CE2 4.24Å; L406-F410 HydrophobicContact CD2-CE2 3.93Å; L406-F410 HydrophobicContact CD2-CZ 4.44Å; L406-F410 WeakPolarHBondContact O-CD2 3.3Å; L406-F410 PolarHBondContact O-N 3.36Å; L406-P555 HydrophobicContact CD2-CB 4.4Å; L406-P555 WeakPolarHBondContact CD2-O 3.33Å; L406-H558 HydrophobicContact CD2-CB 4.4Å; L406-F559 HydrophobicContact CD1-CB 3.83Å; L406-F559 HydrophobicContact CD1-CD2 4.08Å; L406-F559 HydrophobicContact CD1-CG 4.36Å; L406-F559 HydrophobicContact CD2-CB 4.18Å; L406-L562 HydrophobicContact CD1-CD2 3.88Å
407V95.4Very high93.5Very high52 Ų5252.1 Ų52.132%0.31527%0.269SS..Hα-helixtrans-59.1-43.8174.1172.80000111I379 P380 L383 L403 K404 I405 D411I379-V407 HydrophobicContact CB-CG2 4.02Å; I379-V407 HydrophobicContact CG2-CG2 3.39Å; P380-V407 HydrophobicContact CG-CG2 4.25Å; L383-V407 HydrophobicContact CD1-CG2 3.78Å; L403-V407 WeakPolarHBondContact O-CG2 3.3Å; L403-V407 PolarHBondContact O-N 3.34Å; K404-V407 PolarHBondContact O-N 2.89Å; I405-V407 VanDerWaalsContact C-N 3.32Å; I405-V407 PolarHBondContact O-N 3.28Å; V407-D411 PolarHBondContact O-N 3.02Å
408A95.7Very high94Very high69 Ų6951.8 Ų51.857%0.5726%0.262SS*.Hα-helixtrans-66.9-41.8177.900000112K404 I405 L406 F410 D411K404-A408 PolarHBondContact O-N 3.23Å; I405-A408 WeakPolarHBondContact O-CB 3.42Å; I405-A408 PolarHBondContact O-N 2.96Å; L406-A408 VanDerWaalsContact C-N 3.3Å; L406-A408 PolarHBondContact O-N 3.21Å; A408-F410 VanDerWaalsContact C-N 3.3Å; A408-F410 PolarHBondContact O-N 3.29Å; A408-D411 PolarHBondContact O-N 2.85Å
409D95.3Very high94.6Very high79 Ų7950 Ų5042%0.42227%0.266SS..Hα-helixtrans-63.2-35.3179-74.7-16.4000112.3I405 L406 Y552 P555I405-D409 PolarHBondContact O-N 3.28Å; L406-D409 PolarHBondContact O-N 2.68Å; D409-Y552 WeakPolarHBondContact O-CE1 3.4Å; D409-P555 HydrophobicContact CB-CB 4.4Å; D409-P555 HydrophobicContact CB-CG 4.36Å
410F96.9Very high94.9Very high1 Ų150.1 Ų50.10%0.00427%0.267CS..Hα-helixtrans-91.4-1.9-178.8-66.6-56.6000115.5V376 I379 L406 A408 K412 F413 V414 Y552 P555 F556 F559V376-F410 HydrophobicContact CB-CD2 4.47Å; V376-F410 HydrophobicContact CG1-CB 3.42Å; V376-F410 VanDerWaalsContact CG1-CB 3.42Å; V376-F410 HydrophobicContact CG1-CD2 3.92Å; V376-F410 HydrophobicContact CG1-CG 3.81Å; V376-F410 HydrophobicContact CG2-CB 4.36Å; V376-F410 HydrophobicContact CG2-CD1 4.15Å; V376-F410 HydrophobicContact CG2-CD2 3.76Å; V376-F410 HydrophobicContact CG2-CE1 4.36Å; V376-F410 HydrophobicContact CG2-CE2 3.98Å; V376-F410 HydrophobicContact CG2-CG 3.86Å; V376-F410 HydrophobicContact CG2-CZ 4.29Å; I379-F410 HydrophobicContact CD1-CD2 4.03Å; I379-F410 HydrophobicContact CD1-CE2 4.19Å; L406-F410 HydrophobicContact CB-CD2 4.34Å; L406-F410 HydrophobicContact CB-CE2 4.24Å; L406-F410 HydrophobicContact CD2-CE2 3.93Å; L406-F410 HydrophobicContact CD2-CZ 4.44Å; L406-F410 WeakPolarHBondContact O-CD2 3.3Å; L406-F410 PolarHBondContact O-N 3.36Å; A408-F410 VanDerWaalsContact C-N 3.3Å; A408-F410 PolarHBondContact O-N 3.29Å; F410-K412 VanDerWaalsContact C-N 3.33Å; F410-K412 PolarHBondContact O-N 2.89Å; F410-F413 HydrophobicContact CD1-CB 4.42Å; F410-F413 HydrophobicContact CD1-CD1 4.32Å; F410-F413 WeakPolarHBondContact O-CA 3.19Å; F410-F413 WeakPolarHBondContact O-CB 3.19Å; F410-F413 PolarHBondContact O-N 2.93Å; F410-V414 WeakPolarHBondContact O-CG2 3.45Å; F410-V414 PolarHBondContact O-N 3Å; F410-Y552 HydrophobicContact CD1-CD1 4.11Å; F410-Y552 HydrophobicContact CE1-CD1 4.49Å; F410-P555 HydrophobicContact CD1-CB 4.31Å; F410-P555 HydrophobicContact CE1-CB 3.51Å; F410-P555 HydrophobicContact CE2-CB 4.33Å; F410-P555 HydrophobicContact CZ-CB 3.52Å; F410-F556 HydrophobicContact CD1-CD1 4.4Å; F410-F556 AromaticContact CD1-CE1 3.94Å; F410-F556 HydrophobicContact CD1-CE1 3.94Å; F410-F556 HydrophobicContact CD1-CZ 4.38Å; F410-F556 AromaticContact CE1-CD1 3.29Å; F410-F556 HydrophobicContact CE1-CD1 3.29Å; F410-F556 AromaticContact CE1-CE1 3.21Å; F410-F556 HydrophobicContact CE1-CE1 3.21Å; F410-F556 HydrophobicContact CE1-CE2 4.46Å; F410-F556 AromaticContact CE1-CG 3.98Å; F410-F556 HydrophobicContact CE1-CG 3.98Å; F410-F556 AromaticContact CE1-CZ 3.85Å; F410-F556 HydrophobicContact CE1-CZ 3.85Å; F410-F556 HydrophobicContact CE2-CD1 4.42Å; F410-F556 AromaticContact CZ-CD1 3.31Å; F410-F556 HydrophobicContact CZ-CD1 3.31Å; F410-F556 AromaticContact CZ-CE1 3.64Å; F410-F556 HydrophobicContact CZ-CE1 3.64Å; F410-F556 HydrophobicContact CZ-CG 4.12Å; F410-F559 HydrophobicContact CE2-CB 4.09Å; F410-F559 HydrophobicContact CE2-CD1 4.22Å; F410-F559 HydrophobicContact CE2-CG 4.25Å; F410-F559 HydrophobicContact CZ-CB 4.25Å; F410-F559 HydrophobicContact CZ-CD1 4.44Å
411D95.9Very high95Very high82 Ų8250 Ų5044%0.43927%0.266SS..Hα-helixtrans-53.4-48.5-177.4174.852000112.2V407 A408 F413 V414 Q415V407-D411 PolarHBondContact O-N 3.02Å; A408-D411 PolarHBondContact O-N 2.85Å; D411-F413 VanDerWaalsContact C-N 3.34Å; D411-F413 PolarHBondContact O-N 3.15Å; D411-V414 PolarHBondContact O-N 3.44Å; D411-Q415 WeakPolarHBondContact O-CG 3.44Å; D411-Q415 PolarHBondContact O-N 3.28Å; D411-Q415 PolarHBondContact OD1-NE2 3.44Å; D411-Q415 PolarHBondContact OD2-NE2 2.72Å
412K96.2Very high95.1Very high150 Ų15048.6 Ų48.665%0.65225%0.253SS*.Hα-helixtrans-65.8-33.6177-70.2-176.6-179.3177.70113.3F410 M416 Y552F410-K412 VanDerWaalsContact C-N 3.33Å; F410-K412 PolarHBondContact O-N 2.89Å; K412-M416 WeakPolarHBondContact O-CB 3.24Å; K412-M416 PolarHBondContact O-N 3.24Å; K412-Y552 VanDerWaalsContact CB-OH 3.25Å; K412-Y552 WeakPolarHBondContact CB-OH 3.41Å
413F96.5Very high95.2Very high0 Ų049.7 Ų49.70%026%0.256CS..Hα-helixtrans-65.9-46.3175.2169.3-106.6000110.9I369 M372 V376 F410 D411 Q415 M416 V417 T549 Y552 F556I369-F413 HydrophobicContact CG2-CE2 4.24Å; I369-F413 HydrophobicContact CG2-CZ 4.3Å; M372-F413 HydrophobicContact CB-CZ 4.24Å; V376-F413 HydrophobicContact CG2-CD1 4.28Å; V376-F413 HydrophobicContact CG2-CE1 4.16Å; F410-F413 HydrophobicContact CD1-CB 4.42Å; F410-F413 HydrophobicContact CD1-CD1 4.32Å; F410-F413 WeakPolarHBondContact O-CA 3.19Å; F410-F413 WeakPolarHBondContact O-CB 3.19Å; F410-F413 PolarHBondContact O-N 2.93Å; D411-F413 VanDerWaalsContact C-N 3.34Å; D411-F413 PolarHBondContact O-N 3.15Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.01Å; F413-M416 HydrophobicContact CD2-CE 3.76Å; F413-M416 HydrophobicContact CE2-CE 4.06Å; F413-M416 PolarHBondContact O-N 2.67Å; F413-V417 HydrophobicContact CD2-CG2 4.16Å; F413-V417 HydrophobicContact CE1-CG2 4.33Å; F413-V417 HydrophobicContact CE2-CG2 3.68Å; F413-V417 HydrophobicContact CZ-CG2 3.78Å; F413-V417 WeakPolarHBondContact O-CG2 3.41Å; F413-V417 PolarHBondContact O-N 3.06Å; F413-T549 HydrophobicContact CD2-CG2 4.36Å; F413-T549 HydrophobicContact CE2-CG2 3.69Å; F413-T549 HydrophobicContact CZ-CG2 4.47Å; F413-Y552 HydrophobicContact CB-CD1 4.09Å; F413-Y552 HydrophobicContact CB-CD2 4.29Å; F413-Y552 HydrophobicContact CB-CE1 3.82Å; F413-Y552 HydrophobicContact CB-CE2 4.03Å; F413-Y552 HydrophobicContact CB-CG 4.31Å; F413-Y552 HydrophobicContact CD2-CD2 4.32Å; F413-Y552 HydrophobicContact CD2-CE2 4.49Å; F413-Y552 PolarHBondContact N-OH 2.94Å; F413-F556 HydrophobicContact CD1-CZ 4.17Å; F413-F556 HydrophobicContact CD2-CZ 4.35Å; F413-F556 HydrophobicContact CE1-CE1 4.22Å; F413-F556 AromaticContact CE1-CZ 3.84Å; F413-F556 HydrophobicContact CE1-CZ 3.84Å; F413-F556 HydrophobicContact CE2-CZ 4.06Å; F413-F556 HydrophobicContact CG-CZ 4.41Å; F413-F556 AromaticContact CZ-CZ 3.8Å; F413-F556 HydrophobicContact CZ-CZ 3.8Å
414V96.6Very high95.1Very high19 Ų1955.9 Ų55.912%0.11529%0.289CS..Hα-helixtrans-59.7-45176.3172.10000110.9Y373 V376 V377 F410 D411 V417 R418Y373-V414 HydrophobicContact CE2-CB 4.47Å; Y373-V414 HydrophobicContact CE2-CG1 3.91Å; V376-V414 HydrophobicContact CB-CG2 4.5Å; V376-V414 HydrophobicContact CG1-CG2 3.48Å; V376-V414 VanDerWaalsContact CG1-CG2 3.48Å; V377-V414 HydrophobicContact CG2-CG1 4.3Å; V377-V414 HydrophobicContact CG2-CG2 4.37Å; F410-V414 WeakPolarHBondContact O-CG2 3.45Å; F410-V414 PolarHBondContact O-N 3Å; D411-V414 PolarHBondContact O-N 3.44Å; V414-V417 PolarHBondContact O-N 2.95Å; V414-R418 WeakPolarHBondContact O-CB 3.15Å; V414-R418 WeakPolarHBondContact O-CG 3.41Å; V414-R418 PolarHBondContact O-N 3.5Å
415Q95.7Very high94.8Very high106 Ų10653.6 Ų53.650%0.49528%0.278SS..Hα-helixtrans-61.7-45176.9-70.8174.128.700112D411 F413 R418 A419D411-Q415 WeakPolarHBondContact O-CG 3.44Å; D411-Q415 PolarHBondContact O-N 3.28Å; D411-Q415 PolarHBondContact OD1-NE2 3.44Å; D411-Q415 PolarHBondContact OD2-NE2 2.72Å; F413-Q415 VanDerWaalsContact C-N 3.34Å; F413-Q415 PolarHBondContact O-N 3.01Å; Q415-R418 PolarHBondContact O-N 2.99Å; Q415-A419 WeakPolarHBondContact O-CB 3.31Å; Q415-A419 PolarHBondContact O-N 2.89Å
416M95.4Very high94.6Very high37 Ų3749.7 Ų49.718%0.18226%0.258CS..Hα-helixtrans-57.6-52.9177178.8-171.370.300111.3K412 F413 R418 A419 T420 M545 V548 T549K412-M416 WeakPolarHBondContact O-CB 3.24Å; K412-M416 PolarHBondContact O-N 3.24Å; F413-M416 HydrophobicContact CD2-CE 3.76Å; F413-M416 HydrophobicContact CE2-CE 4.06Å; F413-M416 PolarHBondContact O-N 2.67Å; M416-R418 VanDerWaalsContact C-N 3.33Å; M416-R418 PolarHBondContact O-N 2.7Å; M416-A419 PolarHBondContact O-N 2.87Å; M416-T420 HydrophobicContact CG-CG2 4.42Å; M416-T420 WeakPolarHBondContact O-CG2 3.38Å; M416-T420 PolarHBondContact O-N 3.29Å; M416-T420 PolarHBondContact O-OG1 3.04Å; M416-M545 HydrophobicContact CE-CE 4.05Å; M416-M545 HydrophobicContact CE-CG 4.06Å; M416-M545 HydrophobicContact SD-CG 4.35Å; M416-V548 HydrophobicContact CE-CG1 4.38Å; M416-V548 HydrophobicContact SD-CB 3.9Å; M416-V548 HydrophobicContact SD-CG1 3.47Å; M416-V548 WeakPolarHBondContact SD-CG1 3.27Å; M416-T549 WeakPolarHBondContact CE-OG1 3.28Å
417V95.5Very high94.4Very high0 Ų054.7 Ų54.70%029%0.289CS..Hα-helixtrans-62.8-40.2-178.2-179.30000111.3I369 Y373 F413 V414 A419 T420 L421 F423 M545I369-V417 HydrophobicContact CG2-CG2 3.93Å; Y373-V417 HydrophobicContact CD1-CG1 4.33Å; Y373-V417 HydrophobicContact CD2-CB 3.69Å; Y373-V417 HydrophobicContact CD2-CG1 3.71Å; Y373-V417 HydrophobicContact CD2-CG2 4.23Å; Y373-V417 HydrophobicContact CE2-CB 4.28Å; Y373-V417 HydrophobicContact CE2-CG1 4.33Å; Y373-V417 HydrophobicContact CG-CB 4.16Å; Y373-V417 HydrophobicContact CG-CG1 3.7Å; F413-V417 HydrophobicContact CD2-CG2 4.16Å; F413-V417 HydrophobicContact CE1-CG2 4.33Å; F413-V417 HydrophobicContact CE2-CG2 3.68Å; F413-V417 HydrophobicContact CZ-CG2 3.78Å; F413-V417 WeakPolarHBondContact O-CG2 3.41Å; F413-V417 PolarHBondContact O-N 3.06Å; V414-V417 PolarHBondContact O-N 2.95Å; V417-A419 VanDerWaalsContact C-N 3.33Å; V417-A419 PolarHBondContact O-N 3.03Å; V417-T420 PolarHBondContact O-N 2.91Å; V417-T420 PolarHBondContact O-OG1 2.95Å; V417-L421 HydrophobicContact CG1-CB 4.16Å; V417-L421 HydrophobicContact CG1-CD2 4.28Å; V417-L421 VanDerWaalsContact O-CB 3.32Å; V417-L421 WeakPolarHBondContact O-CB 3.23Å; V417-L421 PolarHBondContact O-N 2.77Å; V417-F423 HydrophobicContact CG1-CZ 4.11Å; V417-M545 HydrophobicContact CB-CE 4.07Å; V417-M545 HydrophobicContact CG1-CE 4.24Å; V417-M545 HydrophobicContact CG2-CE 3.59Å
418R95.3Very high94.2Very high128 Ų12856.4 Ų56.448%0.48330%0.303SS..Hα-helixtrans-62.9-37.4175.9-76.6177.8178.3175.30.3113.1Y373 V414 Q415 M416 K435Y373-R418 HydrophobicContact CE2-CG 3.86Å; Y373-R418 WeakPolarHBondContact OH-CG 3.35Å; Y373-R418 PolarHBondContact OH-NE 2.87Å; V414-R418 WeakPolarHBondContact O-CB 3.15Å; V414-R418 WeakPolarHBondContact O-CG 3.41Å; V414-R418 PolarHBondContact O-N 3.5Å; Q415-R418 PolarHBondContact O-N 2.99Å; M416-R418 VanDerWaalsContact C-N 3.33Å; M416-R418 PolarHBondContact O-N 2.7Å; R418-K435 PolarHBondContact O-NZ 3.09Å
419A94.4Very high93.9Very high52 Ų5255.9 Ų55.943%0.4329%0.293SS..Hα-helixtrans-75.2-33.1178.900000112.7Q415 M416 V417 K435Q415-A419 WeakPolarHBondContact O-CB 3.31Å; Q415-A419 PolarHBondContact O-N 2.89Å; M416-A419 PolarHBondContact O-N 2.87Å; V417-A419 VanDerWaalsContact C-N 3.33Å; V417-A419 PolarHBondContact O-N 3.03Å; A419-K435 WeakPolarHBondContact O-CD 3.19Å
420T94.4Very high93.5Very high6 Ų662 Ų624%0.03731%0.31CS..Hα-helixtrans-96.4-41.5-172.958.80000114.6M416 V417 I434 K435 F438 M545M416-T420 HydrophobicContact CG-CG2 4.42Å; M416-T420 WeakPolarHBondContact O-CG2 3.38Å; M416-T420 PolarHBondContact O-N 3.29Å; M416-T420 PolarHBondContact O-OG1 3.04Å; V417-T420 PolarHBondContact O-N 2.91Å; V417-T420 PolarHBondContact O-OG1 2.95Å; T420-I434 CarbonylContact O-C 3.56Å; T420-I434 WeakPolarHBondContact O-CA 3.36Å; T420-K435 PolarHBondContact O-N 3.15Å; T420-F438 HydrophobicContact CG2-CD1 4.35Å; T420-F438 HydrophobicContact CG2-CD2 3.74Å; T420-F438 HydrophobicContact CG2-CE1 4Å; T420-F438 HydrophobicContact CG2-CE2 3.35Å; T420-F438 HydrophobicContact CG2-CG 4.24Å; T420-F438 HydrophobicContact CG2-CZ 3.49Å; T420-F438 VanDerWaalsContact CG2-CZ 3.49Å; T420-M545 WeakPolarHBondContact OG1-CE 3.45Å
421L93.7Very high93.2Very high2 Ų267.2 Ų67.21%0.0133%0.334CS..BIsolated β-bridgetrans-85.3136.2-171.3-170.972.8000111.5L366 H370 V417 F423 Y432 K435L366-L421 HydrophobicContact CB-CD1 4.27Å; L366-L421 HydrophobicContact CD1-CD1 4.23Å; L366-L421 HydrophobicContact CD2-CD1 4.13Å; L366-L421 HydrophobicContact CG-CD1 4.46Å; H370-L421 HydrophobicContact CB-CD2 3.91Å; H370-L421 VanDerWaalsContact CD2-CD2 3.49Å; H370-L421 WeakPolarHBondContact CD2-CD2 3Å; V417-L421 HydrophobicContact CG1-CB 4.16Å; V417-L421 HydrophobicContact CG1-CD2 4.28Å; V417-L421 VanDerWaalsContact O-CB 3.32Å; V417-L421 WeakPolarHBondContact O-CB 3.23Å; V417-L421 PolarHBondContact O-N 2.77Å; L421-F423 HydrophobicContact CB-CE2 4Å; L421-F423 HydrophobicContact CB-CZ 4.32Å; L421-F423 HydrophobicContact CD2-CD1 4.48Å; L421-F423 HydrophobicContact CD2-CE1 3.99Å; L421-F423 HydrophobicContact CD2-CE2 4.32Å; L421-F423 HydrophobicContact CD2-CZ 3.91Å; L421-F423 HydrophobicContact CG-CE2 4.49Å; L421-F423 VanDerWaalsContact O-CD2 3.27Å; L421-F423 WeakPolarHBondContact O-CD2 3.5Å; L421-F423 PolarHBondContact O-N 2.83Å; L421-Y432 HydrophobicContact CD1-CD1 4.37Å; L421-K435 WeakPolarHBondContact O-CD 3.29Å; L421-K435 WeakPolarHBondContact O-CE 3.49Å
422D93.8Very high93Very high7 Ų767.1 Ų67.14%0.03733%0.329CS..  trans-89.191.4178.8-164.6-31.2000111.8D424 Y425 L426 R433 K435D422-D424 VanDerWaalsContact C-N 3.33Å; D422-D424 PolarHBondContact O-N 2.85Å; D422-D424 PolarHBondContact OD1-N 2.83Å; D422-Y425 PolarHBondContact OD1-N 3.01Å; D422-L426 WeakPolarHBondContact O-CB 3.33Å; D422-L426 PolarHBondContact O-N 2.9Å; D422-R433 HydrophobicContact CB-CG 3.59Å; D422-R433 PolarHBondContact N-O 3.16Å; D422-R433 IonicContact OD2-CZ 3.04Å; D422-R433 IonicContact OD2-NE 3.97Å; D422-R433 PolarHBondContact OD2-NE 2.84Å; D422-R433 IonicContact OD2-NH2 2.7Å; D422-R433 PolarHBondContact OD2-NH2 2.75Å; D422-K435 HydrophobicContact CB-CG 3.79Å
423F92.6Very high92.8Very high47 Ų4762.5 Ų62.521%0.20631%0.307CS..Hα-helixtrans-67.5-30.3179.9-67.3-87.6000113.3H370 Y373 V417 L421 L426 T427H370-F423 AromaticContact CD2-CE1 3.58Å; H370-F423 AromaticContact NE2-CE1 3.58Å; Y373-F423 HydrophobicContact CD1-CE1 4.08Å; Y373-F423 HydrophobicContact CD1-CZ 4.05Å; Y373-F423 AromaticContact CE1-CE1 3.59Å; Y373-F423 HydrophobicContact CE1-CE1 3.59Å; Y373-F423 AromaticContact CE1-CZ 3.57Å; Y373-F423 HydrophobicContact CE1-CZ 3.57Å; Y373-F423 AromaticContact CZ-CZ 3.84Å; V417-F423 HydrophobicContact CG1-CZ 4.11Å; L421-F423 HydrophobicContact CB-CE2 4Å; L421-F423 HydrophobicContact CB-CZ 4.32Å; L421-F423 HydrophobicContact CD2-CD1 4.48Å; L421-F423 HydrophobicContact CD2-CE1 3.99Å; L421-F423 HydrophobicContact CD2-CE2 4.32Å; L421-F423 HydrophobicContact CD2-CZ 3.91Å; L421-F423 HydrophobicContact CG-CE2 4.49Å; L421-F423 VanDerWaalsContact O-CD2 3.27Å; L421-F423 WeakPolarHBondContact O-CD2 3.5Å; L421-F423 PolarHBondContact O-N 2.83Å; F423-L426 PolarHBondContact O-N 2.82Å; F423-T427 WeakPolarHBondContact O-CB 2.81Å; F423-T427 PolarHBondContact O-N 3Å; F423-T427 PolarHBondContact O-OG1 3.06Å
424D91.8Very high92.7Very high130 Ų13062.5 Ų62.570%0.69531%0.307SS*.Hα-helixtrans-71.4-41.4-180-63.5-33.6000110.5D422 T427 S428D422-D424 VanDerWaalsContact C-N 3.33Å; D422-D424 PolarHBondContact O-N 2.85Å; D422-D424 PolarHBondContact OD1-N 2.83Å; D424-T427 PolarHBondContact O-N 3.42Å; D424-S428 WeakPolarHBondContact O-CB 3.29Å; D424-S428 PolarHBondContact O-N 2.93Å; D424-S428 VanDerWaalsContact O-N 3.15Å; D424-S428 PolarHBondContact O-OG 3.25Å
425Y90.4Very high92.5Very high58 Ų5864.4 Ų64.423%0.22731%0.314CS..Hα-helixtrans-64.5-48171.5-169.4-105.7000111.7D422 T427 S428 T429 E431 R433D422-Y425 PolarHBondContact OD1-N 3.01Å; Y425-T427 PolarHBondContact O-N 3.39Å; Y425-S428 WeakPolarHBondContact CA-OG 3.33Å; Y425-S428 PolarHBondContact O-N 2.94Å; Y425-S428 VanDerWaalsContact O-N 3.1Å; Y425-S428 PolarHBondContact O-OG 3.11Å; Y425-S428 VanDerWaalsContact O-OG 3.05Å; Y425-T429 WeakPolarHBondContact CD1-OG1 3.24Å; Y425-T429 HydrophobicContact CD2-CG2 3.82Å; Y425-T429 HydrophobicContact CE1-CG2 4.33Å; Y425-T429 WeakPolarHBondContact CE1-OG1 3.19Å; Y425-T429 HydrophobicContact CE2-CG2 3.47Å; Y425-T429 VanDerWaalsContact CE2-CG2 3.47Å; Y425-T429 HydrophobicContact CG-CG2 4.42Å; Y425-T429 PolarHBondContact O-N 2.94Å; Y425-T429 PolarHBondContact O-OG1 2.81Å; Y425-E431 HydrophobicContact CD1-CB 4.34Å; Y425-E431 WeakPolarHBondContact CD1-O 3.42Å; Y425-E431 HydrophobicContact CE1-CB 3.64Å; Y425-E431 PolarHBondContact OH-OE2 3.09Å; Y425-R433 VanDerWaalsContact CB-CZ 3.48Å; Y425-R433 VanDerWaalsContact CB-NE 3.26Å; Y425-R433 HydrophobicContact CD1-CB 3.97Å; Y425-R433 HydrophobicContact CD1-CG 3.44Å; Y425-R433 VanDerWaalsContact CD1-CG 3.44Å; Y425-R433 HydrophobicContact CE1-CB 4.21Å; Y425-R433 HydrophobicContact CE1-CG 4.09Å; Y425-R433 VanDerWaalsContact CE2-NH1 3.27Å; Y425-R433 HydrophobicContact CG-CG 3.8Å; Y425-R433 VanDerWaalsContact CG-CZ 3.41Å; Y425-R433 VanDerWaalsContact CG-NE 3.27Å
426L90.5Very high92.3Very high18 Ų1859.3 Ų59.39%0.09429%0.29CS..Hα-helixtrans-56-40.6178177.961.2000112.2D422 F423 R430 E431 Y432D422-L426 WeakPolarHBondContact O-CB 3.33Å; D422-L426 PolarHBondContact O-N 2.9Å; F423-L426 PolarHBondContact O-N 2.82Å; L426-R430 WeakPolarHBondContact O-CA 3.42Å; L426-R430 PolarHBondContact O-N 2.92Å; L426-E431 WeakPolarHBondContact CA-O 3.46Å; L426-Y432 HydrophobicContact CD1-CD1 3.74Å; L426-Y432 HydrophobicContact CD1-CD2 4.25Å; L426-Y432 HydrophobicContact CD1-CE1 3.55Å; L426-Y432 HydrophobicContact CD1-CE2 4.09Å; L426-Y432 HydrophobicContact CD1-CG 4.08Å; L426-Y432 HydrophobicContact CD2-CD1 4Å; L426-Y432 HydrophobicContact CD2-CE1 3.62Å; L426-Y432 HydrophobicContact CG-CD1 4.46Å; L426-Y432 HydrophobicContact CG-CE1 4.25Å
427T90.8Very high92.1Very high105 Ų10564 Ų6464%0.64431%0.311SS*.Hα-helixtrans-68.7-37.1179.7-57.60000112.1F423 D424 Y425F423-T427 WeakPolarHBondContact O-CB 2.81Å; F423-T427 PolarHBondContact O-N 3Å; F423-T427 PolarHBondContact O-OG1 3.06Å; D424-T427 PolarHBondContact O-N 3.42Å; Y425-T427 PolarHBondContact O-N 3.39Å
428S90.5Very high91.8Very high89 Ų8968.7 Ų68.762%0.62233%0.332SS*.Hα-helixtrans-85.1-38.4-175.653.80000114.1D424 Y425D424-S428 WeakPolarHBondContact O-CB 3.29Å; D424-S428 PolarHBondContact O-N 2.93Å; D424-S428 VanDerWaalsContact O-N 3.15Å; D424-S428 PolarHBondContact O-OG 3.25Å; Y425-S428 WeakPolarHBondContact CA-OG 3.33Å; Y425-S428 PolarHBondContact O-N 2.94Å; Y425-S428 VanDerWaalsContact O-N 3.1Å; Y425-S428 PolarHBondContact O-OG 3.11Å; Y425-S428 VanDerWaalsContact O-OG 3.05Å
429T88.6Confident91.6Very high57 Ų5765.1 Ų65.135%0.3532%0.323SS..Hα-helixtrans-108.8-13.9-174.764.40000113.9Y425 E431Y425-T429 WeakPolarHBondContact CD1-OG1 3.24Å; Y425-T429 HydrophobicContact CD2-CG2 3.82Å; Y425-T429 HydrophobicContact CE1-CG2 4.33Å; Y425-T429 WeakPolarHBondContact CE1-OG1 3.19Å; Y425-T429 HydrophobicContact CE2-CG2 3.47Å; Y425-T429 VanDerWaalsContact CE2-CG2 3.47Å; Y425-T429 HydrophobicContact CG-CG2 4.42Å; Y425-T429 PolarHBondContact O-N 2.94Å; Y425-T429 PolarHBondContact O-OG1 2.81Å; T429-E431 PolarHBondContact O-N 3.33Å; T429-E431 WeakPolarHBondContact OG1-CB 3.24Å; T429-E431 PolarHBondContact OG1-N 2.87Å
430R88.4Confident91.4Very high208 Ų20871.1 Ų71.179%0.78534%0.342SS*.SBendtrans62.217.4-168.7-55.1-64.1-171.3164.30.4114L426L426-R430 WeakPolarHBondContact O-CA 3.42Å; L426-R430 PolarHBondContact O-N 2.92Å
431E89.5Confident91.3Very high111 Ų11174 Ų7452%0.51936%0.362SS..  trans-108.3145.7176.7-66.1179.4167.400111.3Y425 L426 T429Y425-E431 HydrophobicContact CD1-CB 4.34Å; Y425-E431 WeakPolarHBondContact CD1-O 3.42Å; Y425-E431 HydrophobicContact CE1-CB 3.64Å; Y425-E431 PolarHBondContact OH-OE2 3.09Å; L426-E431 WeakPolarHBondContact CA-O 3.46Å; T429-E431 PolarHBondContact O-N 3.33Å; T429-E431 WeakPolarHBondContact OG1-CB 3.24Å; T429-E431 PolarHBondContact OG1-N 2.87Å
432Y91.5Very high91.2Very high80 Ų8074 Ų7431%0.31436%0.362SS..  trans-90128.8177.9-61.2-89.8000110.6L366 H370 L421 L426L366-Y432 HydrophobicContact CB-CD1 4.28Å; L366-Y432 HydrophobicContact CB-CG 4.12Å; H370-Y432 HydrophobicContact CB-CD1 4.26Å; H370-Y432 HydrophobicContact CB-CE1 3.67Å; H370-Y432 AromaticContact CG-CE1 3.82Å; H370-Y432 AromaticContact ND1-CE1 3.83Å; L421-Y432 HydrophobicContact CD1-CD1 4.37Å; L426-Y432 HydrophobicContact CD1-CD1 3.74Å; L426-Y432 HydrophobicContact CD1-CD2 4.25Å; L426-Y432 HydrophobicContact CD1-CE1 3.55Å; L426-Y432 HydrophobicContact CD1-CE2 4.09Å; L426-Y432 HydrophobicContact CD1-CG 4.08Å; L426-Y432 HydrophobicContact CD2-CD1 4Å; L426-Y432 HydrophobicContact CD2-CE1 3.62Å; L426-Y432 HydrophobicContact CG-CD1 4.46Å; L426-Y432 HydrophobicContact CG-CE1 4.25Å
433R92.2Very high91.1Very high53 Ų5375.1 Ų75.120%0.237%0.371CS..  trans-140.6158.9171.377.9175.8-173.9-162.5-1.1111.8D422 Y425D422-R433 HydrophobicContact CB-CG 3.59Å; D422-R433 PolarHBondContact N-O 3.16Å; D422-R433 IonicContact OD2-CZ 3.04Å; D422-R433 IonicContact OD2-NE 3.97Å; D422-R433 PolarHBondContact OD2-NE 2.84Å; D422-R433 IonicContact OD2-NH2 2.7Å; D422-R433 PolarHBondContact OD2-NH2 2.75Å; Y425-R433 VanDerWaalsContact CB-CZ 3.48Å; Y425-R433 VanDerWaalsContact CB-NE 3.26Å; Y425-R433 HydrophobicContact CD1-CB 3.97Å; Y425-R433 HydrophobicContact CD1-CG 3.44Å; Y425-R433 VanDerWaalsContact CD1-CG 3.44Å; Y425-R433 HydrophobicContact CE1-CB 4.21Å; Y425-R433 HydrophobicContact CE1-CG 4.09Å; Y425-R433 VanDerWaalsContact CE2-NH1 3.27Å; Y425-R433 HydrophobicContact CG-CG 3.8Å; Y425-R433 VanDerWaalsContact CG-CZ 3.41Å; Y425-R433 VanDerWaalsContact CG-NE 3.27Å
434I94.1Very high91.2Very high0 Ų075.6 Ų75.60%038%0.383CS..BIsolated β-bridgetrans-76.5140.7167.1-60.7-62.3000108.5L366 T420 P436 F438 L442 Q538 T541 V542L366-I434 HydrophobicContact CD1-CD1 4.18Å; L366-I434 HydrophobicContact CD1-CG1 4.4Å; L366-I434 HydrophobicContact CD2-CD1 3.87Å; T420-I434 CarbonylContact O-C 3.56Å; T420-I434 WeakPolarHBondContact O-CA 3.36Å; I434-P436 WeakPolarHBondContact O-CD 3.38Å; I434-F438 HydrophobicContact CG2-CB 4.17Å; I434-F438 HydrophobicContact CG2-CD1 4.3Å; I434-F438 HydrophobicContact CG2-CG 4.5Å; I434-L442 HydrophobicContact CB-CD1 4.49Å; I434-L442 HydrophobicContact CG2-CD1 3.89Å; I434-Q538 HydrophobicContact CB-CG 4.24Å; I434-Q538 HydrophobicContact CG1-CG 3.87Å; I434-T541 HydrophobicContact CD1-CG2 4.35Å; I434-T541 HydrophobicContact CG1-CG2 4.26Å; I434-T541 HydrophobicContact CG2-CG2 4.13Å; I434-V542 HydrophobicContact CD1-CG2 4.11Å; I434-V542 HydrophobicContact CG1-CG2 4.02Å
435K94Very high91.3Very high58 Ų5870.8 Ų70.825%0.25236%0.357SS..  trans-55.7121.5172.1-81175.8168.7172.20109.4R418 A419 T420 L421 D422 Q437 F438R418-K435 PolarHBondContact O-NZ 3.09Å; A419-K435 WeakPolarHBondContact O-CD 3.19Å; T420-K435 PolarHBondContact O-N 3.15Å; L421-K435 WeakPolarHBondContact O-CD 3.29Å; L421-K435 WeakPolarHBondContact O-CE 3.49Å; D422-K435 HydrophobicContact CB-CG 3.79Å; K435-Q437 PolarHBondContact O-N 2.88Å; K435-Q437 VanDerWaalsContact O-N 3.1Å; K435-F438 HydrophobicContact CB-CB 4.3Å; K435-F438 WeakPolarHBondContact O-CB 3.49Å; K435-F438 PolarHBondContact O-N 3.17Å
436P91.3Very high91.4Very high0 Ų069.6 Ų69.60%035%0.354CS..G310 helixtrans-56.2-31.1179-27.335.3000113.4I434 F438 D439 S443 H446I434-P436 WeakPolarHBondContact O-CD 3.38Å; P436-F438 PolarHBondContact O-N 3.34Å; P436-D439 VanDerWaalsContact O-O 3.14Å; P436-S443 WeakPolarHBondContact O-CA 3.38Å; P436-S443 WeakPolarHBondContact O-CB 3.5Å; P436-S443 PolarHBondContact O-N 2.86Å; P436-H446 HydrophobicContact CB-CB 3.79Å; P436-H446 HydrophobicContact CG-CB 4.34Å
437Q90.6Very high91.5Very high135 Ų13572.7 Ų72.763%0.63137%0.368SS*.G310 helixtrans-77-6.8-179.4-55.177.818.300113.7K435 D439K435-Q437 PolarHBondContact O-N 2.88Å; K435-Q437 VanDerWaalsContact O-N 3.1Å; Q437-D439 VanDerWaalsContact C-N 3.33Å
438F90Very high91.7Very high98 Ų9870.4 Ų70.443%0.4335%0.349SS..G310 helixtrans-67.4-35.6-179.5-179.8-103.6000112.1T420 I434 K435 P436 T541T420-F438 HydrophobicContact CG2-CD1 4.35Å; T420-F438 HydrophobicContact CG2-CD2 3.74Å; T420-F438 HydrophobicContact CG2-CE1 4Å; T420-F438 HydrophobicContact CG2-CE2 3.35Å; T420-F438 HydrophobicContact CG2-CG 4.24Å; T420-F438 HydrophobicContact CG2-CZ 3.49Å; T420-F438 VanDerWaalsContact CG2-CZ 3.49Å; I434-F438 HydrophobicContact CG2-CB 4.17Å; I434-F438 HydrophobicContact CG2-CD1 4.3Å; I434-F438 HydrophobicContact CG2-CG 4.5Å; K435-F438 HydrophobicContact CB-CB 4.3Å; K435-F438 WeakPolarHBondContact O-CB 3.49Å; K435-F438 PolarHBondContact O-N 3.17Å; P436-F438 PolarHBondContact O-N 3.34Å; F438-T541 HydrophobicContact CD1-CG2 4.04Å; F438-T541 HydrophobicContact CE1-CG2 3.95Å
439D89.6Confident91.8Very high54 Ų5467 Ų6729%0.28932%0.324SS..SBendtrans-128.9137.9178.5176.873.6000110.3P436 Q437 S441 L442 S443P436-D439 VanDerWaalsContact O-O 3.14Å; Q437-D439 VanDerWaalsContact C-N 3.33Å; D439-S441 PolarHBondContact O-N 2.8Å; D439-S441 VanDerWaalsContact OD2-CA 3.3Å; D439-S441 WeakPolarHBondContact OD2-CA 3.47Å; D439-S441 WeakPolarHBondContact OD2-CB 3.3Å; D439-S441 PolarHBondContact OD2-N 3.1Å; D439-S441 PolarHBondContact OD2-OG 2.98Å; D439-L442 HydrophobicContact CB-CB 4.14Å; D439-L442 HydrophobicContact CB-CD1 4.04Å; D439-L442 HydrophobicContact CB-CG 4.11Å; D439-L442 PolarHBondContact O-N 3.45Å; D439-L442 PolarHBondContact OD2-N 3.06Å; D439-L442 VanDerWaalsContact OD2-N 3.09Å; D439-S443 PolarHBondContact O-N 2.98Å
440Q90.9Very high92Very high178 Ų17868.9 Ų68.983%0.83233%0.329SS*.Hα-helixtrans-61.4-35.1-177.4-67.8-179.61.900112.3S443 A444Q440-S443 PolarHBondContact O-N 3.48Å; Q440-A444 WeakPolarHBondContact O-CB 3.31Å; Q440-A444 PolarHBondContact O-N 2.85Å
441S91.4Very high92.3Very high67 Ų6765.6 Ų65.647%0.46932%0.317SS..Hα-helixtrans-73.7-39.1179.8-38.80000110.9D439 S443 A444 L445D439-S441 PolarHBondContact O-N 2.8Å; D439-S441 VanDerWaalsContact OD2-CA 3.3Å; D439-S441 WeakPolarHBondContact OD2-CA 3.47Å; D439-S441 WeakPolarHBondContact OD2-CB 3.3Å; D439-S441 PolarHBondContact OD2-N 3.1Å; D439-S441 PolarHBondContact OD2-OG 2.98Å; S441-S443 VanDerWaalsContact C-N 3.34Å; S441-A444 PolarHBondContact O-N 3.42Å; S441-L445 WeakPolarHBondContact O-CB 3.45Å; S441-L445 WeakPolarHBondContact O-CG 3.35Å; S441-L445 PolarHBondContact O-N 3.07Å
442L92.1Very high92.5Very high0 Ų060.5 Ų60.50%029%0.293CS..Hα-helixtrans-61-43.4171-75.1176.7000111.4I434 D439 L445 H446 Y534 L537I434-L442 HydrophobicContact CB-CD1 4.49Å; I434-L442 HydrophobicContact CG2-CD1 3.89Å; D439-L442 HydrophobicContact CB-CB 4.14Å; D439-L442 HydrophobicContact CB-CD1 4.04Å; D439-L442 HydrophobicContact CB-CG 4.11Å; D439-L442 PolarHBondContact O-N 3.45Å; D439-L442 PolarHBondContact OD2-N 3.06Å; D439-L442 VanDerWaalsContact OD2-N 3.09Å; L442-L445 PolarHBondContact O-N 2.86Å; L442-H446 VanDerWaalsContact O-CB 3.3Å; L442-H446 WeakPolarHBondContact O-CB 3.44Å; L442-H446 PolarHBondContact O-N 3.14Å; L442-Y534 HydrophobicContact CB-CE2 4.46Å; L442-Y534 HydrophobicContact CD2-CD2 3.99Å; L442-Y534 HydrophobicContact CD2-CE2 3.85Å; L442-L537 HydrophobicContact CB-CD2 4.45Å; L442-L537 HydrophobicContact CD2-CB 3.93Å; L442-L537 HydrophobicContact CD2-CD2 3.67Å; L442-L537 HydrophobicContact CD2-CG 3.73Å; L442-L537 HydrophobicContact CG-CD2 3.66Å; L442-L537 HydrophobicContact CG-CG 3.93Å
443S92.7Very high92.5Very high32 Ų3259.8 Ų59.822%0.22430%0.295CS..Hα-helixtrans-62-46.7178.2-166.60000111.4P436 D439 Q440 S441 L445 H446 E447P436-S443 WeakPolarHBondContact O-CA 3.38Å; P436-S443 WeakPolarHBondContact O-CB 3.5Å; P436-S443 PolarHBondContact O-N 2.86Å; D439-S443 PolarHBondContact O-N 2.98Å; Q440-S443 PolarHBondContact O-N 3.48Å; S441-S443 VanDerWaalsContact C-N 3.34Å; S443-L445 PolarHBondContact O-N 2.85Å; S443-H446 PolarHBondContact O-N 3.44Å; S443-E447 PolarHBondContact O-N 3.25Å
444A93.6Very high92.6Very high56 Ų5662.9 Ų62.946%0.46331%0.311SS..Hα-helixtrans-61.8-43.6178.400000112.4Q440 S441 H446 E447 E448Q440-A444 WeakPolarHBondContact O-CB 3.31Å; Q440-A444 PolarHBondContact O-N 2.85Å; S441-A444 PolarHBondContact O-N 3.42Å; A444-H446 VanDerWaalsContact C-N 3.35Å; A444-E447 PolarHBondContact O-N 2.76Å; A444-E448 PolarHBondContact O-N 2.93Å
445L93.7Very high92.6Very high29 Ų2968 Ų6815%0.15233%0.333CS..Hα-helixtrans-65.5-38.7175.2-71.1170.8000111.5S441 L442 S443 E448 I449 V530 K533 Y534 L537S441-L445 WeakPolarHBondContact O-CB 3.45Å; S441-L445 WeakPolarHBondContact O-CG 3.35Å; S441-L445 PolarHBondContact O-N 3.07Å; L442-L445 PolarHBondContact O-N 2.86Å; S443-L445 PolarHBondContact O-N 2.85Å; L445-E448 PolarHBondContact O-N 3.34Å; L445-I449 VanDerWaalsContact O-CG1 3.3Å; L445-I449 WeakPolarHBondContact O-CG1 3.18Å; L445-I449 PolarHBondContact O-N 3.24Å; L445-V530 HydrophobicContact CD2-CG1 4.02Å; L445-K533 HydrophobicContact CD1-CB 4.26Å; L445-K533 HydrophobicContact CD2-CB 4.3Å; L445-Y534 HydrophobicContact CB-CD2 4.02Å; L445-L537 HydrophobicContact CD1-CD2 4.31Å
446H92.8Very high92.5Very high34 Ų3465.3 Ų65.316%0.15732%0.322CS..Hα-helixtrans-64.5-43.8177.1-171.972.3000112.1P436 L442 S443 A444 E448 I449 Q450 Y534P436-H446 HydrophobicContact CB-CB 3.79Å; P436-H446 HydrophobicContact CG-CB 4.34Å; L442-H446 VanDerWaalsContact O-CB 3.3Å; L442-H446 WeakPolarHBondContact O-CB 3.44Å; L442-H446 PolarHBondContact O-N 3.14Å; S443-H446 PolarHBondContact O-N 3.44Å; A444-H446 VanDerWaalsContact C-N 3.35Å; H446-E448 VanDerWaalsContact C-N 3.29Å; H446-E448 PolarHBondContact O-N 3.48Å; H446-I449 WeakPolarHBondContact O-CB 3.44Å; H446-I449 PolarHBondContact O-N 2.83Å; H446-Q450 PolarHBondContact CD2-NE2 2.7Å; H446-Q450 PolarHBondContact NE2-NE2 3.38Å; H446-Q450 WeakPolarHBondContact O-CG 3.44Å; H446-Q450 PolarHBondContact O-N 2.94Å; H446-Y534 HydrophobicContact CB-CE2 4.16Å
447E94Very high92.5Very high83 Ų8369.4 Ų69.439%0.38834%0.341SS..Hα-helixtrans-60.7-38.7172-73.6-179.3-160.800111.9S443 A444 Q450 R451S443-E447 PolarHBondContact O-N 3.25Å; A444-E447 PolarHBondContact O-N 2.76Å; E447-Q450 PolarHBondContact O-N 3.32Å; E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 VanDerWaalsContact O-CG 3.28Å; E447-R451 WeakPolarHBondContact O-CG 3.39Å; E447-R451 PolarHBondContact O-N 2.78Å; E447-R451 IonicContact OE2-CZ 3.82Å; E447-R451 IonicContact OE2-NH2 2.87Å; E447-R451 PolarHBondContact OE2-NH2 3.18Å
448E94Very high92.6Very high56 Ų5668.9 Ų68.926%0.26234%0.337SS..Hα-helixtrans-65.3-41.1175.3-173.9166.8-157.800111.9A444 L445 H446 R451 L452 K526 V530A444-E448 PolarHBondContact O-N 2.93Å; L445-E448 PolarHBondContact O-N 3.34Å; H446-E448 VanDerWaalsContact C-N 3.29Å; H446-E448 PolarHBondContact O-N 3.48Å; E448-R451 PolarHBondContact O-N 2.93Å; E448-L452 HydrophobicContact CG-CD1 4.07Å; E448-L452 HydrophobicContact CG-CG 4.41Å; E448-L452 WeakPolarHBondContact O-CB 3.42Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.42Å; E448-L452 PolarHBondContact O-N 3.39Å; E448-K526 WeakPolarHBondContact OE1-CE 3.43Å; E448-K526 IonicContact OE1-NZ 2.78Å; E448-K526 PolarHBondContact OE1-NZ 3.42Å; E448-V530 HydrophobicContact CB-CG1 4.3Å; E448-V530 HydrophobicContact CG-CG1 4.26Å; E448-V530 HydrophobicContact CG-CG2 4.12Å
449I93Very high92.6Very high18 Ų1864.3 Ų64.39%0.09232%0.317CS..Hα-helixtrans-58.9-49.5173.3-69.2167000110.1L445 H446 R451 L452 D453 M527 V530 K531 Y534L445-I449 VanDerWaalsContact O-CG1 3.3Å; L445-I449 WeakPolarHBondContact O-CG1 3.18Å; L445-I449 PolarHBondContact O-N 3.24Å; H446-I449 WeakPolarHBondContact O-CB 3.44Å; H446-I449 PolarHBondContact O-N 2.83Å; I449-R451 PolarHBondContact O-N 3.48Å; I449-L452 PolarHBondContact O-N 3.15Å; I449-L452 VanDerWaalsContact O-N 3.13Å; I449-D453 PolarHBondContact O-N 2.96Å; I449-M527 HydrophobicContact CG1-SD 4.46Å; I449-M527 HydrophobicContact CG2-CE 4.44Å; I449-M527 HydrophobicContact CG2-SD 4.13Å; I449-V530 HydrophobicContact CD1-CG1 4.23Å; I449-V530 HydrophobicContact CG1-CB 4.5Å; I449-V530 HydrophobicContact CG1-CG1 3.57Å; I449-K531 HydrophobicContact CD1-CG 4.18Å; I449-K531 HydrophobicContact CG1-CG 4.39Å; I449-Y534 HydrophobicContact CD1-CD2 4.11Å; I449-Y534 HydrophobicContact CD1-CG 4.04Å
450Q93.2Very high92.7Very high97 Ų9762.4 Ų62.445%0.45331%0.306SS..Hα-helixtrans-58.3-45.5177.9-70.8-178.8-6.300112H446 E447 L452 D453 E454H446-Q450 PolarHBondContact CD2-NE2 2.7Å; H446-Q450 PolarHBondContact NE2-NE2 3.38Å; H446-Q450 WeakPolarHBondContact O-CG 3.44Å; H446-Q450 PolarHBondContact O-N 2.94Å; E447-Q450 PolarHBondContact O-N 3.32Å; Q450-L452 VanDerWaalsContact C-N 3.32Å; Q450-L452 PolarHBondContact O-N 2.94Å; Q450-D453 PolarHBondContact O-N 3.14Å; Q450-E454 WeakPolarHBondContact O-CG 3.47Å; Q450-E454 PolarHBondContact O-N 3.29Å
451R94.8Very high92.7Very high139 Ų13956.9 Ų56.953%0.52528%0.282SS..Hα-helixtrans-63.6-35.4176.6-71.4174.5-167.3145.213.3112.7E447 E448 I449 K455E447-R451 WeakPolarHBondContact O-CB 3.37Å; E447-R451 VanDerWaalsContact O-CG 3.28Å; E447-R451 WeakPolarHBondContact O-CG 3.39Å; E447-R451 PolarHBondContact O-N 2.78Å; E447-R451 IonicContact OE2-CZ 3.82Å; E447-R451 IonicContact OE2-NH2 2.87Å; E447-R451 PolarHBondContact OE2-NH2 3.18Å; E448-R451 PolarHBondContact O-N 2.93Å; I449-R451 PolarHBondContact O-N 3.48Å; R451-K455 WeakPolarHBondContact O-CG 3.16Å; R451-K455 PolarHBondContact O-N 2.84Å
452L93.5Very high92.7Very high4 Ų458.4 Ų58.42%0.02128%0.282CS..Hα-helixtrans-73.7-39.1177.1-72.8171.2000111.6E448 I449 Q450 E454 K455 L456 L523 K526 M527 V530E448-L452 HydrophobicContact CG-CD1 4.07Å; E448-L452 HydrophobicContact CG-CG 4.41Å; E448-L452 WeakPolarHBondContact O-CB 3.42Å; E448-L452 VanDerWaalsContact O-CG 3.29Å; E448-L452 WeakPolarHBondContact O-CG 3.42Å; E448-L452 PolarHBondContact O-N 3.39Å; I449-L452 PolarHBondContact O-N 3.15Å; I449-L452 VanDerWaalsContact O-N 3.13Å; Q450-L452 VanDerWaalsContact C-N 3.32Å; Q450-L452 PolarHBondContact O-N 2.94Å; L452-E454 VanDerWaalsContact C-N 3.35Å; L452-K455 PolarHBondContact O-N 3.16Å; L452-K455 VanDerWaalsContact O-N 3.14Å; L452-L456 WeakPolarHBondContact O-CB 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.44Å; L452-L456 PolarHBondContact O-N 3.49Å; L452-L523 HydrophobicContact CD2-CD2 4.1Å; L452-K526 HydrophobicContact CD1-CD 4.48Å; L452-K526 HydrophobicContact CD1-CG 4.08Å; L452-K526 HydrophobicContact CD2-CD 4.07Å; L452-K526 HydrophobicContact CD2-CG 4.33Å; L452-M527 HydrophobicContact CB-CE 3.51Å; L452-M527 HydrophobicContact CB-SD 4.13Å; L452-M527 HydrophobicContact CD1-CB 4.49Å; L452-M527 HydrophobicContact CD1-SD 4.36Å; L452-V530 HydrophobicContact CD1-CB 4.37Å; L452-V530 HydrophobicContact CD1-CG2 3.98Å
453D91.4Very high92.4Very high65 Ų6558.9 Ų58.935%0.34828%0.284SS..Hα-helixtrans-59.7-45173.9-82.9-34.3000110.6I449 Q450 K455 L456 E457 M527I449-D453 PolarHBondContact O-N 2.96Å; Q450-D453 PolarHBondContact O-N 3.14Å; D453-K455 VanDerWaalsContact C-N 3.31Å; D453-K455 PolarHBondContact O-N 2.87Å; D453-L456 PolarHBondContact O-N 3.35Å; D453-E457 WeakPolarHBondContact O-CB 3.49Å; D453-E457 PolarHBondContact O-N 3.48Å; D453-M527 HydrophobicContact CB-CE 4.2Å; D453-M527 VanDerWaalsContact CG-CE 3.46Å; D453-M527 WeakPolarHBondContact OD1-CE 3.47Å
454E94Very high92.3Very high118 Ų11858.1 Ų58.155%0.55128%0.278SS*.Hα-helixtrans-60-38.4173.5-72.4178.2-170.100113.1Q450 L452 K458Q450-E454 WeakPolarHBondContact O-CG 3.47Å; Q450-E454 PolarHBondContact O-N 3.29Å; L452-E454 VanDerWaalsContact C-N 3.35Å; E454-K458 WeakPolarHBondContact O-CG 3.32Å; E454-K458 PolarHBondContact O-N 3.41Å; E454-K458 VanDerWaalsContact O-N 3.09Å
455K94.3Very high92Very high107 Ų10762.4 Ų62.447%0.46529%0.289SS..Hα-helixtrans-70.6-38.7177.4-76174.9-178.5179.90112.1R451 L452 D453 S459 L523R451-K455 WeakPolarHBondContact O-CG 3.16Å; R451-K455 PolarHBondContact O-N 2.84Å; L452-K455 PolarHBondContact O-N 3.16Å; L452-K455 VanDerWaalsContact O-N 3.14Å; D453-K455 VanDerWaalsContact C-N 3.31Å; D453-K455 PolarHBondContact O-N 2.87Å; K455-S459 PolarHBondContact O-N 3.17Å; K455-L523 HydrophobicContact CB-CD1 4.15Å; K455-L523 HydrophobicContact CB-CD2 4.06Å; K455-L523 HydrophobicContact CD-CD2 4.21Å
456L91.5Very high91.7Very high1 Ų164.2 Ų64.21%0.00530%0.304CS..Hα-helixtrans-64.2-43.2174.2-79170.2000110.5L452 D453 K458 S459 F460 M477 Y485 T520 L523 M527L452-L456 WeakPolarHBondContact O-CB 3.27Å; L452-L456 WeakPolarHBondContact O-CG 3.44Å; L452-L456 PolarHBondContact O-N 3.49Å; D453-L456 PolarHBondContact O-N 3.35Å; L456-K458 PolarHBondContact O-N 3.04Å; L456-S459 CarbonylContact O-C 3.57Å; L456-S459 WeakPolarHBondContact O-CA 3.25Å; L456-S459 VanDerWaalsContact O-CB 3.25Å; L456-S459 WeakPolarHBondContact O-CB 3.34Å; L456-S459 PolarHBondContact O-N 2.84Å; L456-F460 PolarHBondContact O-N 3.02Å; L456-M477 HydrophobicContact CB-SD 4.35Å; L456-Y485 HydrophobicContact CD1-CD2 4.23Å; L456-Y485 HydrophobicContact CD1-CG 4.27Å; L456-T520 HydrophobicContact CD2-CG2 4.03Å; L456-L523 HydrophobicContact CD2-CB 3.57Å; L456-L523 HydrophobicContact CD2-CD1 4.2Å; L456-L523 HydrophobicContact CG-CB 4.13Å; L456-M527 HydrophobicContact CD1-CB 4.38Å; L456-M527 HydrophobicContact CD1-CE 3.71Å; L456-M527 HydrophobicContact CD1-CG 4.34Å
457E91.9Very high91.4Very high86 Ų8663.1 Ų63.140%0.40230%0.299SS..Hα-helixtrans-63.6-41.4178.3-16965.6-178.600111.9D453 S459 F460 D461 K471D453-E457 WeakPolarHBondContact O-CB 3.49Å; D453-E457 PolarHBondContact O-N 3.48Å; E457-S459 VanDerWaalsContact C-N 3.31Å; E457-S459 PolarHBondContact O-N 3.22Å; E457-F460 WeakPolarHBondContact O-CB 3.35Å; E457-F460 PolarHBondContact O-N 3.04Å; E457-D461 PolarHBondContact O-N 3.43Å; E457-K471 VanDerWaalsContact OE1-CE 3.32Å; E457-K471 WeakPolarHBondContact OE1-CE 3.36Å; E457-K471 IonicContact OE1-NZ 3.99Å; E457-K471 PolarHBondContact OE1-NZ 3.13Å; E457-K471 IonicContact OE2-NZ 2.98Å
458K92.1Very high91.1Very high125 Ų12566.4 Ų66.454%0.54332%0.319SS..Hα-helixtrans-62.7-35.8170.7-73.1171.2-177.2169.30112.7E454 L456 F460 H462E454-K458 WeakPolarHBondContact O-CG 3.32Å; E454-K458 PolarHBondContact O-N 3.41Å; E454-K458 VanDerWaalsContact O-N 3.09Å; L456-K458 PolarHBondContact O-N 3.04Å; K458-F460 VanDerWaalsContact C-N 3.34Å; K458-H462 PolarHBondContact O-N 3.3Å; K458-H462 VanDerWaalsContact O-N 3.07Å
459S89.8Confident90.7Very high1 Ų164.6 Ų64.61%0.00731%0.311CS..Hα-helixtrans-65.8-40.6174.1-156.50000110.9K455 L456 E457 H462 M463 T520K455-S459 PolarHBondContact O-N 3.17Å; L456-S459 CarbonylContact O-C 3.57Å; L456-S459 WeakPolarHBondContact O-CA 3.25Å; L456-S459 VanDerWaalsContact O-CB 3.25Å; L456-S459 WeakPolarHBondContact O-CB 3.34Å; L456-S459 PolarHBondContact O-N 2.84Å; E457-S459 VanDerWaalsContact C-N 3.31Å; E457-S459 PolarHBondContact O-N 3.22Å; S459-H462 PolarHBondContact O-N 2.86Å; S459-M463 WeakPolarHBondContact O-CB 3.25Å; S459-M463 PolarHBondContact O-N 3.37Å; S459-T520 PolarHBondContact OG-OG1 2.68Å
460F92.6Very high90.4Very high14 Ų1468.8 Ų68.86%0.06133%0.331CS..Hα-helixtrans-65.9-40.6177-174.9-155.7000112L456 E457 K458 M463 S464 K471 V475 M477 F487L456-F460 PolarHBondContact O-N 3.02Å; E457-F460 WeakPolarHBondContact O-CB 3.35Å; E457-F460 PolarHBondContact O-N 3.04Å; K458-F460 VanDerWaalsContact C-N 3.34Å; F460-M463 PolarHBondContact O-N 3.35Å; F460-S464 VanDerWaalsContact O-CB 3.3Å; F460-S464 WeakPolarHBondContact O-CB 3.41Å; F460-S464 PolarHBondContact O-N 3Å; F460-K471 HydrophobicContact CD1-CD 4.13Å; F460-K471 HydrophobicContact CD1-CG 3.95Å; F460-K471 HydrophobicContact CD2-CG 4.42Å; F460-K471 HydrophobicContact CE1-CD 4.03Å; F460-K471 HydrophobicContact CE1-CG 3.42Å; F460-K471 VanDerWaalsContact CE1-CG 3.42Å; F460-K471 HydrophobicContact CE2-CG 3.96Å; F460-K471 HydrophobicContact CG-CG 4.4Å; F460-K471 HydrophobicContact CZ-CB 4.46Å; F460-K471 HydrophobicContact CZ-CD 4.46Å; F460-K471 HydrophobicContact CZ-CG 3.42Å; F460-K471 VanDerWaalsContact CZ-CG 3.42Å; F460-V475 HydrophobicContact CE2-CG1 4.02Å; F460-V475 HydrophobicContact CE2-CG2 4.12Å; F460-V475 WeakPolarHBondContact CZ-O 3.32Å; F460-M477 HydrophobicContact CB-CE 4.33Å; F460-M477 HydrophobicContact CB-SD 4.37Å; F460-M477 HydrophobicContact CD1-CB 3.98Å; F460-M477 HydrophobicContact CD1-CE 4.14Å; F460-M477 HydrophobicContact CD2-CB 4.37Å; F460-M477 HydrophobicContact CE1-CB 4.11Å; F460-M477 HydrophobicContact CE2-CB 4.48Å; F460-M477 HydrophobicContact CG-CB 4.14Å; F460-M477 HydrophobicContact CZ-CB 4.37Å; F460-F487 HydrophobicContact CB-CE1 3.95Å; F460-F487 AromaticContact CD2-CD1 3.86Å; F460-F487 HydrophobicContact CD2-CD1 3.86Å; F460-F487 AromaticContact CD2-CE1 3.56Å; F460-F487 HydrophobicContact CD2-CE1 3.56Å; F460-F487 HydrophobicContact CE2-CD1 4.3Å; F460-F487 HydrophobicContact CE2-CE1 4.43Å; F460-F487 HydrophobicContact CG-CE1 4.03Å
461D91Very high90.1Very high62 Ų6267.2 Ų67.233%0.33232%0.322SS..Hα-helixtrans-59.1-48171.9-73.1-37.4000111.7E457 M463 S464 Q465 K471E457-D461 PolarHBondContact O-N 3.43Å; D461-M463 VanDerWaalsContact C-N 3.34Å; D461-M463 PolarHBondContact O-N 3.39Å; D461-S464 PolarHBondContact O-N 3.16Å; D461-Q465 VanDerWaalsContact O-CG 3.32Å; D461-Q465 WeakPolarHBondContact O-CG 3.49Å; D461-Q465 PolarHBondContact O-N 3.47Å; D461-K471 VanDerWaalsContact CG-NZ 3.31Å; D461-K471 WeakPolarHBondContact OD1-CD 3.22Å; D461-K471 VanDerWaalsContact OD1-CE 3.31Å; D461-K471 WeakPolarHBondContact OD1-CE 3.32Å; D461-K471 IonicContact OD1-NZ 2.84Å; D461-K471 PolarHBondContact OD1-NZ 2.78Å; D461-K471 IonicContact OD2-NZ 2.7Å
462H89.9Confident89.6Confident100 Ų10062.5 Ų62.546%0.46332%0.317SS..Hα-helixtrans-61.7-42178.5-173.365.1000112K458 S459 Q465 S466K458-H462 PolarHBondContact O-N 3.3Å; K458-H462 VanDerWaalsContact O-N 3.07Å; S459-H462 PolarHBondContact O-N 2.86Å; H462-Q465 PolarHBondContact O-N 2.89Å; H462-S466 VanDerWaalsContact O-CB 3.31Å; H462-S466 WeakPolarHBondContact O-CB 3.43Å; H462-S466 PolarHBondContact O-N 3.01Å
463M87.7Confident89.2Confident10 Ų1068.7 Ų68.75%0.04934%0.344CS..Hα-helixtrans-66.5-42.5178.4-169.957.961.200112S459 F460 D461 Q465 S466 L467 F487 I503 F515 D517S459-M463 WeakPolarHBondContact O-CB 3.25Å; S459-M463 PolarHBondContact O-N 3.37Å; F460-M463 PolarHBondContact O-N 3.35Å; D461-M463 VanDerWaalsContact C-N 3.34Å; D461-M463 PolarHBondContact O-N 3.39Å; M463-Q465 VanDerWaalsContact C-N 3.34Å; M463-Q465 PolarHBondContact O-N 2.78Å; M463-S466 PolarHBondContact O-N 2.81Å; M463-L467 HydrophobicContact CG-CD1 4.04Å; M463-L467 WeakPolarHBondContact O-CB 3.48Å; M463-L467 WeakPolarHBondContact O-CG 3.5Å; M463-L467 PolarHBondContact O-N 3.44Å; M463-L467 HydrophobicContact SD-CD1 3.92Å; M463-L467 HydrophobicContact SD-CG 4.13Å; M463-F487 HydrophobicContact CB-CE1 4.3Å; M463-F487 HydrophobicContact CB-CE2 4.13Å; M463-F487 HydrophobicContact CB-CZ 3.93Å; M463-F487 HydrophobicContact CE-CD2 4.46Å; M463-F487 HydrophobicContact CE-CE2 4Å; M463-F487 HydrophobicContact CG-CD2 3.94Å; M463-F487 HydrophobicContact CG-CE1 4.44Å; M463-F487 HydrophobicContact CG-CE2 3.85Å; M463-F487 HydrophobicContact CG-CG 4.27Å; M463-F487 HydrophobicContact CG-CZ 4.11Å; M463-I503 HydrophobicContact SD-CD1 4.49Å; M463-F515 HydrophobicContact CG-CE2 4.19Å; M463-F515 HydrophobicContact SD-CE2 4.06Å; M463-D517 HydrophobicContact CE-CB 3.71Å
464S88.9Confident88.8Confident15 Ų1567.5 Ų67.511%0.10534%0.339CS..Hα-helixtrans-60.1-43175.2170.70000111.6F460 D461 N468 L469 K471F460-S464 VanDerWaalsContact O-CB 3.3Å; F460-S464 WeakPolarHBondContact O-CB 3.41Å; F460-S464 PolarHBondContact O-N 3Å; D461-S464 PolarHBondContact O-N 3.16Å; S464-N468 PolarHBondContact O-N 2.8Å; S464-N468 VanDerWaalsContact O-N 3.16Å; S464-L469 PolarHBondContact O-N 2.82Å; S464-L469 PolarHBondContact OG-O 2.81Å; S464-K471 PolarHBondContact OG-N 3.34Å
465Q88.7Confident88.6Confident147 Ų14761.9 Ų61.969%0.68731%0.313SS*.Hα-helixtrans-68.2-45.7175.9-70.6173.11.800112.4D461 H462 M463 L467 N468D461-Q465 VanDerWaalsContact O-CG 3.32Å; D461-Q465 WeakPolarHBondContact O-CG 3.49Å; D461-Q465 PolarHBondContact O-N 3.47Å; H462-Q465 PolarHBondContact O-N 2.89Å; M463-Q465 VanDerWaalsContact C-N 3.34Å; M463-Q465 PolarHBondContact O-N 2.78Å; Q465-L467 VanDerWaalsContact C-N 3.3Å; Q465-L467 PolarHBondContact O-N 3.24Å; Q465-N468 PolarHBondContact O-N 2.89Å; Q465-N468 VanDerWaalsContact O-N 3.08Å
466S87.1Confident88.5Confident66 Ų6661 Ų6146%0.46231%0.309SS..Hα-helixtrans-63.8-34.2-178.7-1740000112.8H462 M463H462-S466 VanDerWaalsContact O-CB 3.31Å; H462-S466 WeakPolarHBondContact O-CB 3.43Å; H462-S466 PolarHBondContact O-N 3.01Å; M463-S466 PolarHBondContact O-N 2.81Å
467L86.4Confident88.5Confident11 Ų1163.4 Ų63.46%0.05832%0.321CS..THydrogen-bonded Turntrans-87.6-6.7176.7-65.3176.3000113M463 Q465 L469 L497 Q500 I503 F515M463-L467 HydrophobicContact CG-CD1 4.04Å; M463-L467 WeakPolarHBondContact O-CB 3.48Å; M463-L467 WeakPolarHBondContact O-CG 3.5Å; M463-L467 PolarHBondContact O-N 3.44Å; M463-L467 HydrophobicContact SD-CD1 3.92Å; M463-L467 HydrophobicContact SD-CG 4.13Å; Q465-L467 VanDerWaalsContact C-N 3.3Å; Q465-L467 PolarHBondContact O-N 3.24Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 HydrophobicContact CB-CB 4.28Å; L467-L469 HydrophobicContact CB-CD1 3.88Å; L467-L469 HydrophobicContact CB-CG 3.89Å; L467-L469 HydrophobicContact CD1-CD1 4.19Å; L467-L469 PolarHBondContact O-N 3.26Å; L467-L497 HydrophobicContact CD1-CD2 4.08Å; L467-L497 HydrophobicContact CD2-CD2 4.27Å; L467-Q500 HydrophobicContact CD2-CG 4.1Å; L467-I503 HydrophobicContact CD2-CD1 4Å; L467-F515 HydrophobicContact CD1-CE2 3.94Å; L467-F515 HydrophobicContact CD1-CZ 3.69Å
468N86.6Confident88.4Confident152 Ų15261.4 Ų61.481%0.81331%0.311SS*.THydrogen-bonded Turntrans52.445.2-172-16126.7000112.2S464 Q465S464-N468 PolarHBondContact O-N 2.8Å; S464-N468 VanDerWaalsContact O-N 3.16Å; Q465-N468 PolarHBondContact O-N 2.89Å; Q465-N468 VanDerWaalsContact O-N 3.08Å
469L87.1Confident88.2Confident19 Ų1963.2 Ų63.210%0.09932%0.315CS..  trans-119.7141.5-176.8-71.3-178.3000110.6S464 L467 K471 T474 V475 V489 C496S464-L469 PolarHBondContact O-N 2.82Å; S464-L469 PolarHBondContact OG-O 2.81Å; L467-L469 VanDerWaalsContact C-N 3.27Å; L467-L469 HydrophobicContact CB-CB 4.28Å; L467-L469 HydrophobicContact CB-CD1 3.88Å; L467-L469 HydrophobicContact CB-CG 3.89Å; L467-L469 HydrophobicContact CD1-CD1 4.19Å; L467-L469 PolarHBondContact O-N 3.26Å; L469-K471 PolarHBondContact O-N 2.87Å; L469-T474 WeakPolarHBondContact CB-OG1 3.37Å; L469-V475 HydrophobicContact CB-CB 4.27Å; L469-V475 HydrophobicContact CB-CG1 3.85Å; L469-V475 HydrophobicContact CD1-CB 4.23Å; L469-V489 HydrophobicContact CD1-CG1 3.62Å; L469-C496 HydrophobicContact CD1-CB 4.42Å
470E86.1Confident88.1Confident106 Ų10664.4 Ų64.450%0.49532%0.321SS..  trans-68115.7178.2-165.2-177.9174.100111.9G472 K473 T474E470-G472 PolarHBondContact O-N 2.91Å; E470-K473 HydrophobicContact CB-CB 4.38Å; E470-K473 HydrophobicContact CG-CB 4.38Å; E470-K473 PolarHBondContact O-N 2.6Å; E470-K473 WeakPolarHBondContact OE1-CE 3.49Å; E470-K473 IonicContact OE1-NZ 2.73Å; E470-K473 PolarHBondContact OE1-NZ 2.72Å; E470-K473 WeakPolarHBondContact OE2-CD 3.46Å; E470-K473 IonicContact OE2-NZ 3.79Å; E470-K473 PolarHBondContact OE2-NZ 2.88Å; E470-T474 PolarHBondContact N-OG1 2.82Å; E470-T474 PolarHBondContact O-N 3.05Å; E470-T474 VanDerWaalsContact O-N 3.11Å; E470-T474 PolarHBondContact O-OG1 3.33Å
471K87.3Confident87.5Confident63 Ų6372.3 Ų72.327%0.27436%0.355SS..BIsolated β-bridgetrans-54128.7176.1-166-174.5-170.2177.40110.9E457 F460 D461 S464 L469 K473E457-K471 VanDerWaalsContact OE1-CE 3.32Å; E457-K471 WeakPolarHBondContact OE1-CE 3.36Å; E457-K471 IonicContact OE1-NZ 3.99Å; E457-K471 PolarHBondContact OE1-NZ 3.13Å; E457-K471 IonicContact OE2-NZ 2.98Å; F460-K471 HydrophobicContact CD1-CD 4.13Å; F460-K471 HydrophobicContact CD1-CG 3.95Å; F460-K471 HydrophobicContact CD2-CG 4.42Å; F460-K471 HydrophobicContact CE1-CD 4.03Å; F460-K471 HydrophobicContact CE1-CG 3.42Å; F460-K471 VanDerWaalsContact CE1-CG 3.42Å; F460-K471 HydrophobicContact CE2-CG 3.96Å; F460-K471 HydrophobicContact CG-CG 4.4Å; F460-K471 HydrophobicContact CZ-CB 4.46Å; F460-K471 HydrophobicContact CZ-CD 4.46Å; F460-K471 HydrophobicContact CZ-CG 3.42Å; F460-K471 VanDerWaalsContact CZ-CG 3.42Å; D461-K471 VanDerWaalsContact CG-NZ 3.31Å; D461-K471 WeakPolarHBondContact OD1-CD 3.22Å; D461-K471 VanDerWaalsContact OD1-CE 3.31Å; D461-K471 WeakPolarHBondContact OD1-CE 3.32Å; D461-K471 IonicContact OD1-NZ 2.84Å; D461-K471 PolarHBondContact OD1-NZ 2.78Å; D461-K471 IonicContact OD2-NZ 2.7Å; S464-K471 PolarHBondContact OG-N 3.34Å; L469-K471 PolarHBondContact O-N 2.87Å; K471-K473 PolarHBondContact O-N 2.84Å
472G83.5Confident87.1Confident40 Ų4076.3 Ų76.341%0.41237%0.372SS..THydrogen-bonded Turntrans81.7-12.7176.400000115E470 V475 K476E470-G472 PolarHBondContact O-N 2.91Å; G472-V475 PolarHBondContact N-O 2.95Å; G472-K476 WeakPolarHBondContact O-CE 3.37Å
473K84.3Confident86.8Confident135 Ų13575 Ų7559%0.58736%0.363SS*.THydrogen-bonded Turntrans-105.7-68.6172-74.8-159.4-162.2132.30112.5E470 K471E470-K473 HydrophobicContact CB-CB 4.38Å; E470-K473 HydrophobicContact CG-CB 4.38Å; E470-K473 PolarHBondContact O-N 2.6Å; E470-K473 WeakPolarHBondContact OE1-CE 3.49Å; E470-K473 IonicContact OE1-NZ 2.73Å; E470-K473 PolarHBondContact OE1-NZ 2.72Å; E470-K473 WeakPolarHBondContact OE2-CD 3.46Å; E470-K473 IonicContact OE2-NZ 3.79Å; E470-K473 PolarHBondContact OE2-NZ 2.88Å; K471-K473 PolarHBondContact O-N 2.84Å
474T85.1Confident86.8Confident40 Ų4074.9 Ų74.925%0.24537%0.365CS..THydrogen-bonded Turntrans-90.2-29.4-172.952.20000112.6L469 E470 V489 T490L469-T474 WeakPolarHBondContact CB-OG1 3.37Å; E470-T474 PolarHBondContact N-OG1 2.82Å; E470-T474 PolarHBondContact O-N 3.05Å; E470-T474 VanDerWaalsContact O-N 3.11Å; E470-T474 PolarHBondContact O-OG1 3.33Å; T474-V489 WeakPolarHBondContact O-CA 3.29Å; T474-T490 PolarHBondContact O-N 2.85Å
475V89.6Confident86.9Confident0 Ų076 Ų760%037%0.367CS..EExtended strand (participates in β ladder)trans-120.7131.8167.761.80000109.5F460 L469 G472 F487 R488 V489 F515F460-V475 HydrophobicContact CE2-CG1 4.02Å; F460-V475 HydrophobicContact CE2-CG2 4.12Å; F460-V475 WeakPolarHBondContact CZ-O 3.32Å; L469-V475 HydrophobicContact CB-CB 4.27Å; L469-V475 HydrophobicContact CB-CG1 3.85Å; L469-V475 HydrophobicContact CD1-CB 4.23Å; G472-V475 PolarHBondContact N-O 2.95Å; V475-F487 HydrophobicContact CG2-CB 4.32Å; V475-R488 WeakPolarHBondContact CA-O 3.44Å; V475-V489 HydrophobicContact CB-CG1 3.96Å; V475-V489 HydrophobicContact CG2-CG1 3.99Å; V475-F515 HydrophobicContact CG2-CZ 4.17Å
476K91.9Very high87.1Confident89 Ų8969 Ų6939%0.38734%0.335SS..EExtended strand (participates in β ladder)trans-126.9143.7178.6-65.1-178.2176.2-173.10109.3G472 F487 R488G472-K476 WeakPolarHBondContact O-CE 3.37Å; K476-F487 CarbonylContact O-C 3.56Å; K476-F487 VanDerWaalsContact O-CA 3.31Å; K476-F487 WeakPolarHBondContact O-CA 3.12Å; K476-R488 PolarHBondContact N-O 2.91Å; K476-R488 PolarHBondContact O-N 2.95Å
477M91.4Very high87.3Confident51 Ų5165.9 Ų65.925%0.25131%0.313SS..EExtended strand (participates in β ladder)trans-90.4131.2164.7-176169.455.700108.2L456 F460 Y485 C486 F487L456-M477 HydrophobicContact CB-SD 4.35Å; F460-M477 HydrophobicContact CB-CE 4.33Å; F460-M477 HydrophobicContact CB-SD 4.37Å; F460-M477 HydrophobicContact CD1-CB 3.98Å; F460-M477 HydrophobicContact CD1-CE 4.14Å; F460-M477 HydrophobicContact CD2-CB 4.37Å; F460-M477 HydrophobicContact CE1-CB 4.11Å; F460-M477 HydrophobicContact CE2-CB 4.48Å; F460-M477 HydrophobicContact CG-CB 4.14Å; F460-M477 HydrophobicContact CZ-CB 4.37Å; M477-Y485 HydrophobicContact CG-CD1 4.29Å; M477-Y485 HydrophobicContact SD-CD1 4.4Å; M477-C486 WeakPolarHBondContact CA-O 3.18Å; M477-F487 HydrophobicContact CB-CD1 4.21Å; M477-F487 HydrophobicContact CB-CE1 4.31Å; M477-F487 HydrophobicContact CG-CE1 4.41Å; M477-F487 HydrophobicContact SD-CE1 4.43Å
478E90.3Very high87.6Confident44 Ų4468.6 Ų68.621%0.20632%0.322CS..EExtended strand (participates in β ladder)trans-138.3149.4179.562.6-179.8-144.400110.9Y485 C486 R488 K514E478-Y485 WeakPolarHBondContact O-CA 3.36Å; E478-C486 PolarHBondContact N-O 3.47Å; E478-C486 PolarHBondContact O-N 2.96Å; E478-R488 HydrophobicContact CG-CB 4.25Å; E478-R488 IonicContact OE1-NE 3.33Å; E478-R488 VanDerWaalsContact OE2-CD 3.31Å; E478-R488 WeakPolarHBondContact OE2-CD 3.49Å; E478-R488 IonicContact OE2-CZ 3.69Å; E478-R488 IonicContact OE2-NE 2.68Å; E478-R488 PolarHBondContact OE2-NE 3.46Å; E478-R488 IonicContact OE2-NH2 2.67Å; E478-K514 WeakPolarHBondContact OE1-CD 3.43Å; E478-K514 WeakPolarHBondContact OE1-CE 3.27Å; E478-K514 IonicContact OE1-NZ 3.12Å; E478-K514 PolarHBondContact OE1-NZ 3.25Å
479W88Confident87.8Confident162 Ų16261.4 Ų61.461%0.61428%0.283SS*.EExtended strand (participates in β ladder)trans-88.8131.6171175.281.1000109.9K481 Y485W479-K481 HydrophobicContact CH2-CB 4.21Å; W479-K481 HydrophobicContact CH2-CG 4.49Å; W479-Y485 HydrophobicContact CB-CD1 4.47Å; W479-Y485 HydrophobicContact CB-CE1 4.33Å
480N86Confident87.9Confident26 Ų2662.6 Ų62.614%0.13929%0.292CS..EExtended strand (participates in β ladder)trans-120.2135.1174.2-175-42.2000109Q482 Y483 G484 K514N480-Q482 PolarHBondContact O-N 2.88Å; N480-Q482 PolarHBondContact OD1-N 2.79Å; N480-Y483 HydrophobicContact CB-CD2 4.28Å; N480-Y483 WeakPolarHBondContact ND2-CD2 3.34Å; N480-Y483 PolarHBondContact O-N 2.89Å; N480-G484 PolarHBondContact N-O 2.78Å; N480-G484 VanDerWaalsContact O-CA 3.3Å; N480-G484 WeakPolarHBondContact O-CA 3.17Å; N480-G484 PolarHBondContact O-N 3.3Å; N480-K514 PolarHBondContact ND2-NZ 2.81Å
481K80.8Confident87.8Confident181 Ų18161 Ų6179%0.78729%0.286SS*.THydrogen-bonded Turntrans-55.5-34.3178.8-168.6179.1179.6-175.10113.2W479W479-K481 HydrophobicContact CH2-CB 4.21Å; W479-K481 HydrophobicContact CH2-CG 4.49Å
482Q83.2Confident87.6Confident146 Ų14666.8 Ų66.868%0.68231%0.311SS*.THydrogen-bonded Turntrans-86.4-35.9-177.8-171.5176.8-2.200113.4N480N480-Q482 PolarHBondContact O-N 2.88Å; N480-Q482 PolarHBondContact OD1-N 2.79Å
483Y83Confident87.7Confident71 Ų7165.5 Ų65.528%0.27830%0.296SS..THydrogen-bonded Turntrans-113.9-5-170.1-50.3-63.1000114.4N480 L506 D507N480-Y483 HydrophobicContact CB-CD2 4.28Å; N480-Y483 WeakPolarHBondContact ND2-CD2 3.34Å; N480-Y483 PolarHBondContact O-N 2.89Å; Y483-L506 HydrophobicContact CD1-CB 4.41Å; Y483-L506 HydrophobicContact CD1-CD2 4.1Å; Y483-L506 HydrophobicContact CD2-CB 4.17Å; Y483-L506 HydrophobicContact CD2-CD1 4.42Å; Y483-L506 HydrophobicContact CE1-CB 4.46Å; Y483-L506 HydrophobicContact CE2-CB 4.24Å; Y483-L506 HydrophobicContact CG-CB 4.28Å; Y483-L506 HydrophobicContact CG-CD1 4.06Å; Y483-L506 HydrophobicContact CG-CD2 4.42Å; Y483-L506 HydrophobicContact CG-CG 4.5Å; Y483-L506 PolarHBondContact OH-O 3.44Å; Y483-D507 HydrophobicContact CE2-CB 4.1Å
484G87.1Confident87.7Confident8 Ų863 Ų638%0.08229%0.286CS..EExtended strand (participates in β ladder)trans69.7-146-17100000112.4N480 C486N480-G484 PolarHBondContact N-O 2.78Å; N480-G484 VanDerWaalsContact O-CA 3.3Å; N480-G484 WeakPolarHBondContact O-CA 3.17Å; N480-G484 PolarHBondContact O-N 3.3Å; G484-C486 PolarHBondContact O-N 2.98Å
485Y91.4Very high87.6Confident39 Ų3966.9 Ų66.915%0.15330%0.301CS..EExtended strand (participates in β ladder)trans-69122.5174.9-72.3-87.3000110.8L456 M477 E478 W479 S524 M527 K531L456-Y485 HydrophobicContact CD1-CD2 4.23Å; L456-Y485 HydrophobicContact CD1-CG 4.27Å; M477-Y485 HydrophobicContact CG-CD1 4.29Å; M477-Y485 HydrophobicContact SD-CD1 4.4Å; E478-Y485 WeakPolarHBondContact O-CA 3.36Å; W479-Y485 HydrophobicContact CB-CD1 4.47Å; W479-Y485 HydrophobicContact CB-CE1 4.33Å; Y485-S524 PolarHBondContact N-OG 3.5Å; Y485-S524 PolarHBondContact O-OG 2.94Å; Y485-M527 HydrophobicContact CD2-CG 4.17Å; Y485-M527 HydrophobicContact CE2-CG 3.69Å; Y485-K531 PolarHBondContact OH-NZ 2.99Å
486C92.1Very high87.4Confident0 Ų068 Ų680%031%0.309CS..EExtended strand (participates in β ladder)trans-139.5164.6178.462.30000110.6M477 E478 G484 L506M477-C486 WeakPolarHBondContact CA-O 3.18Å; E478-C486 PolarHBondContact N-O 3.47Å; E478-C486 PolarHBondContact O-N 2.96Å; G484-C486 PolarHBondContact O-N 2.98Å; C486-L506 HydrophobicContact CB-CD1 3.62Å
487F93Very high86.9Confident0 Ų064.5 Ų64.50%029%0.294CS..EExtended strand (participates in β ladder)trans-93.5146.1172.5-57.3-65.9000110.1F460 M463 V475 K476 M477 K514 F515 T520F460-F487 HydrophobicContact CB-CE1 3.95Å; F460-F487 AromaticContact CD2-CD1 3.86Å; F460-F487 HydrophobicContact CD2-CD1 3.86Å; F460-F487 AromaticContact CD2-CE1 3.56Å; F460-F487 HydrophobicContact CD2-CE1 3.56Å; F460-F487 HydrophobicContact CE2-CD1 4.3Å; F460-F487 HydrophobicContact CE2-CE1 4.43Å; F460-F487 HydrophobicContact CG-CE1 4.03Å; M463-F487 HydrophobicContact CB-CE1 4.3Å; M463-F487 HydrophobicContact CB-CE2 4.13Å; M463-F487 HydrophobicContact CB-CZ 3.93Å; M463-F487 HydrophobicContact CE-CD2 4.46Å; M463-F487 HydrophobicContact CE-CE2 4Å; M463-F487 HydrophobicContact CG-CD2 3.94Å; M463-F487 HydrophobicContact CG-CE1 4.44Å; M463-F487 HydrophobicContact CG-CE2 3.85Å; M463-F487 HydrophobicContact CG-CG 4.27Å; M463-F487 HydrophobicContact CG-CZ 4.11Å; V475-F487 HydrophobicContact CG2-CB 4.32Å; K476-F487 CarbonylContact O-C 3.56Å; K476-F487 VanDerWaalsContact O-CA 3.31Å; K476-F487 WeakPolarHBondContact O-CA 3.12Å; M477-F487 HydrophobicContact CB-CD1 4.21Å; M477-F487 HydrophobicContact CB-CE1 4.31Å; M477-F487 HydrophobicContact CG-CE1 4.41Å; M477-F487 HydrophobicContact SD-CE1 4.43Å; F487-K514 CarbonylContact O-C 3.56Å; F487-K514 VanDerWaalsContact O-CA 3.26Å; F487-K514 WeakPolarHBondContact O-CA 3.39Å; F487-F515 HydrophobicContact CB-CD1 4.09Å; F487-F515 HydrophobicContact CB-CD2 4.12Å; F487-F515 HydrophobicContact CB-CE1 3.58Å; F487-F515 HydrophobicContact CB-CE2 3.67Å; F487-F515 HydrophobicContact CB-CG 4.33Å; F487-F515 HydrophobicContact CB-CZ 3.38Å; F487-F515 HydrophobicContact CD2-CD2 4.29Å; F487-F515 AromaticContact CD2-CE2 3.92Å; F487-F515 HydrophobicContact CD2-CE2 3.92Å; F487-F515 HydrophobicContact CD2-CZ 4.43Å; F487-F515 HydrophobicContact CG-CE2 4.12Å; F487-F515 HydrophobicContact CG-CZ 4.16Å; F487-F515 PolarHBondContact N-O 2.82Å; F487-F515 PolarHBondContact O-N 3.3Å; F487-T520 HydrophobicContact CE2-CG2 3.84Å; F487-T520 WeakPolarHBondContact CE2-OG1 3.29Å; F487-T520 HydrophobicContact CZ-CG2 3.83Å; F487-T520 WeakPolarHBondContact CZ-OG1 3.32Å
488R91.4Very high86.1Confident69 Ų6969 Ų6926%0.2631%0.312SS..EExtended strand (participates in β ladder)trans-125.4127.3170.2-175.1173.264.497.8-5.2109.8V475 K476 E478 I513 K514V475-R488 WeakPolarHBondContact CA-O 3.44Å; K476-R488 PolarHBondContact N-O 2.91Å; K476-R488 PolarHBondContact O-N 2.95Å; E478-R488 HydrophobicContact CG-CB 4.25Å; E478-R488 IonicContact OE1-NE 3.33Å; E478-R488 VanDerWaalsContact OE2-CD 3.31Å; E478-R488 WeakPolarHBondContact OE2-CD 3.49Å; E478-R488 IonicContact OE2-CZ 3.69Å; E478-R488 IonicContact OE2-NE 2.68Å; E478-R488 PolarHBondContact OE2-NE 3.46Å; E478-R488 IonicContact OE2-NH2 2.67Å; R488-I513 WeakPolarHBondContact CA-O 3.32Å; R488-K514 HydrophobicContact CG-CG 4.5Å
489V91.9Very high85Confident0 Ų075 Ų750%035%0.346CS..EExtended strand (participates in β ladder)trans-106.6151.3168.3-76.50000110.7L469 T474 V475 L497 G512 I513 F515L469-V489 HydrophobicContact CD1-CG1 3.62Å; T474-V489 WeakPolarHBondContact O-CA 3.29Å; V475-V489 HydrophobicContact CB-CG1 3.96Å; V475-V489 HydrophobicContact CG2-CG1 3.99Å; V489-L497 HydrophobicContact CG2-CD1 3.59Å; V489-L497 HydrophobicContact CG2-CD2 4.45Å; V489-L497 HydrophobicContact CG2-CG 4.09Å; V489-G512 CarbonylContact O-C 3.5Å; V489-G512 WeakPolarHBondContact O-CA 3.46Å; V489-I513 HydrophobicContact CG2-CB 4.22Å; V489-I513 PolarHBondContact N-O 3.22Å; V489-I513 PolarHBondContact O-N 3.01Å; V489-F515 HydrophobicContact CB-CE1 4.12Å; V489-F515 HydrophobicContact CG1-CE1 3.59Å; V489-F515 HydrophobicContact CG1-CZ 3.98Å; V489-F515 HydrophobicContact CG2-CD1 4.15Å; V489-F515 HydrophobicContact CG2-CE1 3.78Å
490T88.1Confident84.5Confident44 Ų4471.3 Ų71.327%0.2734%0.335SS..  trans-65154.3171.272.50000111T474 K492 S493 Q494T474-T490 PolarHBondContact O-N 2.85Å; T490-K492 PolarHBondContact O-N 3.4Å; T490-K492 VanDerWaalsContact O-N 3.16Å; T490-S493 PolarHBondContact O-N 2.86Å; T490-S493 PolarHBondContact OG1-OG 2.94Å; T490-Q494 PolarHBondContact O-N 3.42Å
491I84.2Confident84.1Confident72 Ų7281.9 Ų81.937%0.36937%0.373SS..G310 helixtrans-55.4-34.5175.4-67.2-174.8000111.8S493 Q494 K510I491-S493 PolarHBondContact O-N 3.45Å; I491-Q494 WeakPolarHBondContact O-CB 3.31Å; I491-Q494 WeakPolarHBondContact O-CG 3.41Å; I491-Q494 PolarHBondContact O-N 3.26Å; I491-K510 WeakPolarHBondContact CD1-O 3.31Å
492K84.4Confident84.1Confident185 Ų18576 Ų7680%0.80436%0.364SS*.G310 helixtrans-60.7-34.8178.2-64.9-176.2179.1-178.50112.3T490 H495T490-K492 PolarHBondContact O-N 3.4Å; T490-K492 VanDerWaalsContact O-N 3.16Å; K492-H495 PolarHBondContact O-CE1 2.88Å; K492-H495 VanDerWaalsContact O-CE1 3.29Å; K492-H495 PolarHBondContact O-ND1 2.92Å
493S84Confident84.3Confident13 Ų1370.8 Ų70.89%0.09134%0.341CS..G310 helixtrans-958-178.4-55.70000113.5T490 I491 H495 C496T490-S493 PolarHBondContact O-N 2.86Å; T490-S493 PolarHBondContact OG1-OG 2.94Å; I491-S493 PolarHBondContact O-N 3.45Å; S493-H495 PolarHBondContact O-N 3.04Å; S493-H495 VanDerWaalsContact O-N 3.12Å; S493-C496 WeakPolarHBondContact O-CB 3.07Å; S493-C496 PolarHBondContact O-N 3.41Å; S493-C496 VanDerWaalsContact O-N 3.11Å; S493-C496 PolarHBondContact O-SG 3.23Å
494Q85Confident84.6Confident84 Ų8473.2 Ų73.239%0.39336%0.355SS..G310 helixtrans-58.6-28.5-179.171.6-179.6-37.900113.5T490 I491 C496 L497 I513T490-Q494 PolarHBondContact O-N 3.42Å; I491-Q494 WeakPolarHBondContact O-CB 3.31Å; I491-Q494 WeakPolarHBondContact O-CG 3.41Å; I491-Q494 PolarHBondContact O-N 3.26Å; Q494-C496 PolarHBondContact O-N 3.49Å; Q494-L497 PolarHBondContact O-N 2.92Å; Q494-I513 HydrophobicContact CB-CD1 3.54Å; Q494-I513 HydrophobicContact CB-CG1 4.39Å
495H83.9Confident84.8Confident120 Ų12077.6 Ų77.656%0.55638%0.375SS*.G310 helixtrans-64.7-26.8-178.864.5-85.2000112.3K492 S493 L497 K498K492-H495 PolarHBondContact O-CE1 2.88Å; K492-H495 VanDerWaalsContact O-CE1 3.29Å; K492-H495 PolarHBondContact O-ND1 2.92Å; S493-H495 PolarHBondContact O-N 3.04Å; S493-H495 VanDerWaalsContact O-N 3.12Å; H495-L497 PolarHBondContact O-N 3.29Å; H495-K498 PolarHBondContact O-N 3.33Å
496C83.5Confident84.7Confident25 Ų2577.6 Ų77.617%0.16938%0.378CS..G310 helixtrans-66.2-22.6177.2-55.10000112.9L469 S493 Q494 Q500L469-C496 HydrophobicContact CD1-CB 4.42Å; S493-C496 WeakPolarHBondContact O-CB 3.07Å; S493-C496 PolarHBondContact O-N 3.41Å; S493-C496 VanDerWaalsContact O-N 3.11Å; S493-C496 PolarHBondContact O-SG 3.23Å; Q494-C496 PolarHBondContact O-N 3.49Å; C496-Q500 VanDerWaalsContact O-CG 3.29Å; C496-Q500 WeakPolarHBondContact O-CG 3.29Å
497L83.3Confident84.6Confident15 Ų1580.2 Ų80.28%0.07939%0.392CS..G310 helixtrans-81.8-21.3177.8-57.5-178.7000112.5L467 V489 Q494 H495 N499 I503 I513 F515L467-L497 HydrophobicContact CD1-CD2 4.08Å; L467-L497 HydrophobicContact CD2-CD2 4.27Å; V489-L497 HydrophobicContact CG2-CD1 3.59Å; V489-L497 HydrophobicContact CG2-CD2 4.45Å; V489-L497 HydrophobicContact CG2-CG 4.09Å; Q494-L497 PolarHBondContact O-N 2.92Å; H495-L497 PolarHBondContact O-N 3.29Å; L497-N499 PolarHBondContact O-N 2.88Å; L497-I503 HydrophobicContact CD2-CD1 4.07Å; L497-I503 HydrophobicContact CD2-CG2 4.48Å; L497-I513 HydrophobicContact CD1-CB 4.23Å; L497-I513 HydrophobicContact CD1-CG2 3.96Å; L497-F515 HydrophobicContact CD1-CB 4.48Å; L497-F515 HydrophobicContact CD1-CD1 3.76Å; L497-F515 HydrophobicContact CD1-CE1 4.22Å; L497-F515 HydrophobicContact CD1-CG 4.13Å; L497-F515 HydrophobicContact CD2-CD1 3.93Å; L497-F515 HydrophobicContact CD2-CD2 3.97Å; L497-F515 HydrophobicContact CD2-CE1 3.81Å; L497-F515 HydrophobicContact CD2-CE2 3.8Å; L497-F515 HydrophobicContact CD2-CG 4.02Å; L497-F515 HydrophobicContact CD2-CZ 3.71Å
498K72.6Confident84.3Confident145 Ų14584.8 Ų84.863%0.6342%0.42SS*.THydrogen-bonded Turntrans-68.5132.4-179.2-66.2-173.9177.3-176.20109.4H495 Q500H495-K498 PolarHBondContact O-N 3.33Å; K498-Q500 VanDerWaalsContact C-N 3.29Å; K498-Q500 PolarHBondContact O-N 3.27Å
499N68.5Low84Confident169 Ų16985.4 Ų85.490%0.90443%0.428SS*.THydrogen-bonded Turntrans70.55.8178.9-52.3-29.4000117L497L497-N499 PolarHBondContact O-N 2.88Å
500Q77.1Confident83.5Confident85 Ų8595.6 Ų95.640%0.39747%0.472SS..  trans-77.3124.8172.6-68.2-64.6-22.800110.5L467 C496 K498 I503L467-Q500 HydrophobicContact CD2-CG 4.1Å; C496-Q500 VanDerWaalsContact O-CG 3.29Å; C496-Q500 WeakPolarHBondContact O-CG 3.29Å; K498-Q500 VanDerWaalsContact C-N 3.29Å; K498-Q500 PolarHBondContact O-N 3.27Å; Q500-I503 HydrophobicContact CB-CD1 3.5Å; Q500-I503 HydrophobicContact CB-CG1 3.99Å; Q500-I503 HydrophobicContact CG-CD1 4.02Å
501R77.2Confident83.2Confident248 Ų24895.8 Ų95.894%0.93648%0.483SS*.THydrogen-bonded Turntrans-76.7134176.8-67.6-176.1179.5-179.30.1109.8
502G80.9Confident83.4Confident58 Ų5892.4 Ų92.460%0.59847%0.466SS*.THydrogen-bonded Turntrans912.4174.900000116
503I87.9Confident83.8Confident37 Ų3784.2 Ų84.219%0.1943%0.43CS..EExtended strand (participates in β ladder)trans-92.4132.3173.1-62.5-173.5000110.2M463 L467 L497 Q500 F515M463-I503 HydrophobicContact SD-CD1 4.49Å; L467-I503 HydrophobicContact CD2-CD1 4Å; L497-I503 HydrophobicContact CD2-CD1 4.07Å; L497-I503 HydrophobicContact CD2-CG2 4.48Å; Q500-I503 HydrophobicContact CB-CD1 3.5Å; Q500-I503 HydrophobicContact CB-CG1 3.99Å; Q500-I503 HydrophobicContact CG-CD1 4.02Å; I503-F515 HydrophobicContact CD1-CE2 4.48Å; I503-F515 HydrophobicContact CG2-CB 3.94Å; I503-F515 HydrophobicContact CG2-CD2 3.65Å; I503-F515 HydrophobicContact CG2-CG 4.1Å
504Q88.7Confident84.2Confident121 Ų12184.7 Ų84.757%0.56543%0.431SS*.EExtended strand (participates in β ladder)trans-112.6123.6173.2-178.2177.8-5.300110F515 T516Q504-F515 CarbonylContact O-C 3.59Å; Q504-F515 WeakPolarHBondContact O-CA 3.26Å; Q504-F515 VanDerWaalsContact O-CB 3.32Å; Q504-F515 WeakPolarHBondContact O-CB 3.39Å; Q504-T516 HydrophobicContact CB-CG2 4.33Å; Q504-T516 PolarHBondContact N-O 3.09Å; Q504-T516 PolarHBondContact O-N 3.31Å
505I90.5Very high84.5Confident100 Ų10080.7 Ų80.751%0.51341%0.412SS..EExtended strand (participates in β ladder)trans-79.6130.4174.5-60.8175.1000108.7I513I505-I513 HydrophobicContact CG2-CG2 3.77Å
506L89.8Confident85Confident39 Ų3975.1 Ų75.120%0.20439%0.387CS..EExtended strand (participates in β ladder)trans-102.1-46.2-176.7-62.8171.9000112Y483 C486 K514 T516Y483-L506 HydrophobicContact CD1-CB 4.41Å; Y483-L506 HydrophobicContact CD1-CD2 4.1Å; Y483-L506 HydrophobicContact CD2-CB 4.17Å; Y483-L506 HydrophobicContact CD2-CD1 4.42Å; Y483-L506 HydrophobicContact CE1-CB 4.46Å; Y483-L506 HydrophobicContact CE2-CB 4.24Å; Y483-L506 HydrophobicContact CG-CB 4.28Å; Y483-L506 HydrophobicContact CG-CD1 4.06Å; Y483-L506 HydrophobicContact CG-CD2 4.42Å; Y483-L506 HydrophobicContact CG-CG 4.5Å; Y483-L506 PolarHBondContact OH-O 3.44Å; C486-L506 HydrophobicContact CB-CD1 3.62Å; L506-K514 HydrophobicContact CB-CB 4.33Å; L506-K514 PolarHBondContact N-O 3.4Å; L506-T516 HydrophobicContact CD1-CG2 4.02Å; L506-T516 HydrophobicContact CD2-CG2 4.08Å; L506-T516 HydrophobicContact CG-CG2 4.2Å
507D89.5Confident85.4Confident56 Ų5675 Ų7530%0.29938%0.384SS..EExtended strand (participates in β ladder)trans-156.9152.2-175.8-168.913.1000111.3Y483 K514Y483-D507 HydrophobicContact CE2-CB 4.1Å; D507-K514 HydrophobicContact CB-CB 4.3Å; D507-K514 HydrophobicContact CB-CD 4.46Å; D507-K514 HydrophobicContact CB-CG 4.49Å; D507-K514 PolarHBondContact N-O 2.75Å; D507-K514 PolarHBondContact O-N 3.22Å
508T87.8Confident85.7Confident96 Ų9679 Ų7959%0.58941%0.414SS*.EExtended strand (participates in β ladder)trans-125.6110179.8-600000110.2I513T508-I513 HydrophobicContact CG2-CG1 4.34Å
509L85.2Confident86.6Confident82 Ų8278 Ų7843%0.42941%0.406SS..EExtended strand (participates in β ladder)trans-111.3159.7-178-62.9170.9000110.9G511 G512L509-G511 PolarHBondContact O-N 3.17Å; L509-G512 PolarHBondContact N-O 3.11Å; L509-G512 PolarHBondContact O-N 3.07Å; L509-G512 VanDerWaalsContact O-O 3.07Å
510K81.8Confident87.6Confident213 Ų21370 Ų7093%0.92636%0.363SS*.THydrogen-bonded Turntrans-54.8-19.4174.2-73.1-173.8179.2179.10114.2I491I491-K510 WeakPolarHBondContact CD1-O 3.31Å
511G82.2Confident88.3Confident48 Ų4867.5 Ų67.550%0.49536%0.355SS..THydrogen-bonded Turntrans-102.6-6.7179.400000115.7L509L509-G511 PolarHBondContact O-N 3.17Å
512G88.3Confident89Confident1 Ų161.6 Ų61.61%0.0134%0.338CS..EExtended strand (participates in β ladder)trans159.2174.6-175.600000114.4V489 L509V489-G512 CarbonylContact O-C 3.5Å; V489-G512 WeakPolarHBondContact O-CA 3.46Å; L509-G512 PolarHBondContact N-O 3.11Å; L509-G512 PolarHBondContact O-N 3.07Å; L509-G512 VanDerWaalsContact O-O 3.07Å
513I91.2Very high89.6Confident13 Ų1359.8 Ų59.87%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-107.9129.8178.2-57.3-175.8000108.6R488 V489 Q494 L497 I505 T508R488-I513 WeakPolarHBondContact CA-O 3.32Å; V489-I513 HydrophobicContact CG2-CB 4.22Å; V489-I513 PolarHBondContact N-O 3.22Å; V489-I513 PolarHBondContact O-N 3.01Å; Q494-I513 HydrophobicContact CB-CD1 3.54Å; Q494-I513 HydrophobicContact CB-CG1 4.39Å; L497-I513 HydrophobicContact CD1-CB 4.23Å; L497-I513 HydrophobicContact CD1-CG2 3.96Å; I505-I513 HydrophobicContact CG2-CG2 3.77Å; T508-I513 HydrophobicContact CG2-CG1 4.34Å
514K92.8Very high89.8Confident23 Ų2358.2 Ų58.210%0.131%0.307CS..EExtended strand (participates in β ladder)trans-91.5134.6170.9-56.9-167.3-167.3-147.20109.8E478 N480 F487 R488 L506 D507E478-K514 WeakPolarHBondContact OE1-CD 3.43Å; E478-K514 WeakPolarHBondContact OE1-CE 3.27Å; E478-K514 IonicContact OE1-NZ 3.12Å; E478-K514 PolarHBondContact OE1-NZ 3.25Å; N480-K514 PolarHBondContact ND2-NZ 2.81Å; F487-K514 CarbonylContact O-C 3.56Å; F487-K514 VanDerWaalsContact O-CA 3.26Å; F487-K514 WeakPolarHBondContact O-CA 3.39Å; R488-K514 HydrophobicContact CG-CG 4.5Å; L506-K514 HydrophobicContact CB-CB 4.33Å; L506-K514 PolarHBondContact N-O 3.4Å; D507-K514 HydrophobicContact CB-CB 4.3Å; D507-K514 HydrophobicContact CB-CD 4.46Å; D507-K514 HydrophobicContact CB-CG 4.49Å; D507-K514 PolarHBondContact N-O 2.75Å; D507-K514 PolarHBondContact O-N 3.22Å
515F92.6Very high90Very high0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-148.9165.8-179.866.5-79.2000110.8M463 L467 V475 F487 V489 L497 I503 Q504M463-F515 HydrophobicContact CG-CE2 4.19Å; M463-F515 HydrophobicContact SD-CE2 4.06Å; L467-F515 HydrophobicContact CD1-CE2 3.94Å; L467-F515 HydrophobicContact CD1-CZ 3.69Å; V475-F515 HydrophobicContact CG2-CZ 4.17Å; F487-F515 HydrophobicContact CB-CD1 4.09Å; F487-F515 HydrophobicContact CB-CD2 4.12Å; F487-F515 HydrophobicContact CB-CE1 3.58Å; F487-F515 HydrophobicContact CB-CE2 3.67Å; F487-F515 HydrophobicContact CB-CG 4.33Å; F487-F515 HydrophobicContact CB-CZ 3.38Å; F487-F515 HydrophobicContact CD2-CD2 4.29Å; F487-F515 AromaticContact CD2-CE2 3.92Å; F487-F515 HydrophobicContact CD2-CE2 3.92Å; F487-F515 HydrophobicContact CD2-CZ 4.43Å; F487-F515 HydrophobicContact CG-CE2 4.12Å; F487-F515 HydrophobicContact CG-CZ 4.16Å; F487-F515 PolarHBondContact N-O 2.82Å; F487-F515 PolarHBondContact O-N 3.3Å; V489-F515 HydrophobicContact CB-CE1 4.12Å; V489-F515 HydrophobicContact CG1-CE1 3.59Å; V489-F515 HydrophobicContact CG1-CZ 3.98Å; V489-F515 HydrophobicContact CG2-CD1 4.15Å; V489-F515 HydrophobicContact CG2-CE1 3.78Å; L497-F515 HydrophobicContact CD1-CB 4.48Å; L497-F515 HydrophobicContact CD1-CD1 3.76Å; L497-F515 HydrophobicContact CD1-CE1 4.22Å; L497-F515 HydrophobicContact CD1-CG 4.13Å; L497-F515 HydrophobicContact CD2-CD1 3.93Å; L497-F515 HydrophobicContact CD2-CD2 3.97Å; L497-F515 HydrophobicContact CD2-CE1 3.81Å; L497-F515 HydrophobicContact CD2-CE2 3.8Å; L497-F515 HydrophobicContact CD2-CG 4.02Å; L497-F515 HydrophobicContact CD2-CZ 3.71Å; I503-F515 HydrophobicContact CD1-CE2 4.48Å; I503-F515 HydrophobicContact CG2-CB 3.94Å; I503-F515 HydrophobicContact CG2-CD2 3.65Å; I503-F515 HydrophobicContact CG2-CG 4.1Å; Q504-F515 CarbonylContact O-C 3.59Å; Q504-F515 WeakPolarHBondContact O-CA 3.26Å; Q504-F515 VanDerWaalsContact O-CB 3.32Å; Q504-F515 WeakPolarHBondContact O-CB 3.39Å
516T92.9Very high90.1Very high4 Ų457 Ų573%0.02530%0.298CS..EExtended strand (participates in β ladder)trans-143.3170.5174-165.60000109.8Q504 L506 S521Q504-T516 HydrophobicContact CB-CG2 4.33Å; Q504-T516 PolarHBondContact N-O 3.09Å; Q504-T516 PolarHBondContact O-N 3.31Å; L506-T516 HydrophobicContact CD1-CG2 4.02Å; L506-T516 HydrophobicContact CD2-CG2 4.08Å; L506-T516 HydrophobicContact CG-CG2 4.2Å; T516-S521 PolarHBondContact OG1-N 3.45Å
517D91.5Very high90.2Very high22 Ų2255.2 Ų55.212%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-120.5166.9167.675.7-34000109.9M463 R519 T520 S521M463-D517 HydrophobicContact CE-CB 3.71Å; D517-R519 PolarHBondContact O-N 3.17Å; D517-T520 PolarHBondContact O-N 3.03Å; D517-T520 WeakPolarHBondContact OD1-CA 3.42Å; D517-T520 WeakPolarHBondContact OD1-CB 3.38Å; D517-T520 PolarHBondContact OD1-N 3.41Å; D517-T520 PolarHBondContact OD1-OG1 2.91Å; D517-S521 VanDerWaalsContact O-CB 3.29Å; D517-S521 WeakPolarHBondContact O-CB 3.33Å; D517-S521 PolarHBondContact O-N 2.91Å
518S90.4Very high90.3Very high100 Ų10055.7 Ų55.770%0.69929%0.293SS*.Hα-helixtrans-55.3-38.9-178.957.40000113.1H522S518-H522 WeakPolarHBondContact O-CB 3.5Å; S518-H522 PolarHBondContact O-N 2.86Å; S518-H522 VanDerWaalsContact O-N 3.09Å
519R90.9Very high90.5Very high124 Ų12455.4 Ų55.447%0.46829%0.285SS..Hα-helixtrans-68.2-49.2180-176.6-179.5177.3170.8-2111.9D517 H522 L523D517-R519 PolarHBondContact O-N 3.17Å; R519-H522 PolarHBondContact O-N 3.25Å; R519-L523 HydrophobicContact CG-CD1 4.28Å; R519-L523 WeakPolarHBondContact O-CG 3.3Å; R519-L523 PolarHBondContact O-N 3.19Å
520T91.2Very high90.9Very high0 Ų051.7 Ų51.70%027%0.266CS..Hα-helixtrans-70.6-35.7-179.7-53.10000111L456 S459 F487 D517 L523 S524L456-T520 HydrophobicContact CD2-CG2 4.03Å; S459-T520 PolarHBondContact OG-OG1 2.68Å; F487-T520 HydrophobicContact CE2-CG2 3.84Å; F487-T520 WeakPolarHBondContact CE2-OG1 3.29Å; F487-T520 HydrophobicContact CZ-CG2 3.83Å; F487-T520 WeakPolarHBondContact CZ-OG1 3.32Å; D517-T520 PolarHBondContact O-N 3.03Å; D517-T520 WeakPolarHBondContact OD1-CA 3.42Å; D517-T520 WeakPolarHBondContact OD1-CB 3.38Å; D517-T520 PolarHBondContact OD1-N 3.41Å; D517-T520 PolarHBondContact OD1-OG1 2.91Å; T520-L523 PolarHBondContact O-N 2.99Å; T520-S524 WeakPolarHBondContact O-CB 3.38Å; T520-S524 PolarHBondContact O-N 3.38Å
521S90.6Very high91.4Very high33 Ų3345.4 Ų45.423%0.23124%0.239CC..Hα-helixtrans-57.9-49.5172.6-1630000111.2T516 D517 L523 S524 E525T516-S521 PolarHBondContact OG1-N 3.45Å; D517-S521 VanDerWaalsContact O-CB 3.29Å; D517-S521 WeakPolarHBondContact O-CB 3.33Å; D517-S521 PolarHBondContact O-N 2.91Å; S521-L523 PolarHBondContact O-N 3.42Å; S521-S524 WeakPolarHBondContact O-CB 3.35Å; S521-S524 PolarHBondContact O-N 3.5Å; S521-E525 WeakPolarHBondContact O-CG 3.46Å; S521-E525 PolarHBondContact O-N 3.1Å; S521-E525 PolarHBondContact OG-OE1 3.18Å
522H92.6Very high92Very high123 Ų12349 Ų4957%0.56924%0.237SC*.Hα-helixtrans-64.7-40.2178.9-173.260.9000112.9S518 R519 K526S518-H522 WeakPolarHBondContact O-CB 3.5Å; S518-H522 PolarHBondContact O-N 2.86Å; S518-H522 VanDerWaalsContact O-N 3.09Å; R519-H522 PolarHBondContact O-N 3.25Å; H522-K526 WeakPolarHBondContact O-CB 3.3Å; H522-K526 PolarHBondContact O-N 3.16Å
523L93.5Very high92.2Very high20 Ų2053 Ų5311%0.10525%0.254CS..Hα-helixtrans-65.3-38.4174-71.1173.1000112L452 K455 L456 R519 T520 S521 M527L452-L523 HydrophobicContact CD2-CD2 4.1Å; K455-L523 HydrophobicContact CB-CD1 4.15Å; K455-L523 HydrophobicContact CB-CD2 4.06Å; K455-L523 HydrophobicContact CD-CD2 4.21Å; L456-L523 HydrophobicContact CD2-CB 3.57Å; L456-L523 HydrophobicContact CD2-CD1 4.2Å; L456-L523 HydrophobicContact CG-CB 4.13Å; R519-L523 HydrophobicContact CG-CD1 4.28Å; R519-L523 WeakPolarHBondContact O-CG 3.3Å; R519-L523 PolarHBondContact O-N 3.19Å; T520-L523 PolarHBondContact O-N 2.99Å; S521-L523 PolarHBondContact O-N 3.42Å; L523-M527 WeakPolarHBondContact O-CB 3.48Å; L523-M527 PolarHBondContact O-N 3.3Å
524S91.9Very high92.3Very high4 Ų453.5 Ų53.53%0.02826%0.256CS..Hα-helixtrans-66-45.2177.6178.50000111.7Y485 T520 S521 M527 T528Y485-S524 PolarHBondContact N-OG 3.5Å; Y485-S524 PolarHBondContact O-OG 2.94Å; T520-S524 WeakPolarHBondContact O-CB 3.38Å; T520-S524 PolarHBondContact O-N 3.38Å; S521-S524 WeakPolarHBondContact O-CB 3.35Å; S521-S524 PolarHBondContact O-N 3.5Å; S524-M527 PolarHBondContact O-N 3.28Å; S524-T528 WeakPolarHBondContact O-CB 3.35Å; S524-T528 PolarHBondContact O-N 2.98Å; S524-T528 PolarHBondContact O-OG1 3.48Å
525E92.3Very high92.3Very high118 Ų11854 Ų5455%0.55127%0.268SS*.Hα-helixtrans-58.4-50.3174-75.9165.6-154.500110.7S521 M527 T528 E529S521-E525 WeakPolarHBondContact O-CG 3.46Å; S521-E525 PolarHBondContact O-N 3.1Å; S521-E525 PolarHBondContact OG-OE1 3.18Å; E525-M527 PolarHBondContact O-N 3.34Å; E525-T528 PolarHBondContact O-N 3.12Å; E525-E529 PolarHBondContact O-N 3.35Å
526K93.3Very high92.3Very high79 Ų7959 Ų5934%0.34329%0.291SS..Hα-helixtrans-62.9-43.4178.2-171.6171.5178.4-173.30112.1E448 L452 H522 T528 E529 V530E448-K526 WeakPolarHBondContact OE1-CE 3.43Å; E448-K526 IonicContact OE1-NZ 2.78Å; E448-K526 PolarHBondContact OE1-NZ 3.42Å; L452-K526 HydrophobicContact CD1-CD 4.48Å; L452-K526 HydrophobicContact CD1-CG 4.08Å; L452-K526 HydrophobicContact CD2-CD 4.07Å; L452-K526 HydrophobicContact CD2-CG 4.33Å; H522-K526 WeakPolarHBondContact O-CB 3.3Å; H522-K526 PolarHBondContact O-N 3.16Å; K526-T528 VanDerWaalsContact C-N 3.33Å; K526-T528 PolarHBondContact O-N 3.44Å; K526-E529 PolarHBondContact O-N 3.18Å; K526-V530 HydrophobicContact CG-CG2 4.43Å; K526-V530 VanDerWaalsContact O-CG2 3.3Å; K526-V530 WeakPolarHBondContact O-CG2 3.19Å; K526-V530 PolarHBondContact O-N 3.31Å
527M92.1Very high92.3Very high0 Ų060.8 Ų60.80%030%0.3CS..Hα-helixtrans-60.1-43.7175.6179.463.892.100111.5I449 L452 D453 L456 Y485 L523 S524 E525 E529 V530 K531I449-M527 HydrophobicContact CG1-SD 4.46Å; I449-M527 HydrophobicContact CG2-CE 4.44Å; I449-M527 HydrophobicContact CG2-SD 4.13Å; L452-M527 HydrophobicContact CB-CE 3.51Å; L452-M527 HydrophobicContact CB-SD 4.13Å; L452-M527 HydrophobicContact CD1-CB 4.49Å; L452-M527 HydrophobicContact CD1-SD 4.36Å; D453-M527 HydrophobicContact CB-CE 4.2Å; D453-M527 VanDerWaalsContact CG-CE 3.46Å; D453-M527 WeakPolarHBondContact OD1-CE 3.47Å; L456-M527 HydrophobicContact CD1-CB 4.38Å; L456-M527 HydrophobicContact CD1-CE 3.71Å; L456-M527 HydrophobicContact CD1-CG 4.34Å; Y485-M527 HydrophobicContact CD2-CG 4.17Å; Y485-M527 HydrophobicContact CE2-CG 3.69Å; L523-M527 WeakPolarHBondContact O-CB 3.48Å; L523-M527 PolarHBondContact O-N 3.3Å; S524-M527 PolarHBondContact O-N 3.28Å; E525-M527 PolarHBondContact O-N 3.34Å; M527-E529 VanDerWaalsContact C-N 3.33Å; M527-E529 PolarHBondContact O-N 3.08Å; M527-V530 PolarHBondContact O-N 2.84Å; M527-K531 HydrophobicContact CG-CD 4.11Å; M527-K531 HydrophobicContact CG-CG 4.4Å; M527-K531 VanDerWaalsContact O-CB 3.31Å; M527-K531 WeakPolarHBondContact O-CB 3.39Å; M527-K531 WeakPolarHBondContact O-CG 3.42Å; M527-K531 PolarHBondContact O-N 3.03Å; M527-K531 HydrophobicContact SD-CD 4.11Å; M527-K531 VanDerWaalsContact SD-CE 3.56Å; M527-K531 HydrophobicContact SD-CG 4.06Å
528T91.3Very high92.4Very high66 Ų6661.8 Ų61.841%0.40530%0.304SS..Hα-helixtrans-63.3-41.7177.9-57.40000110.8S524 E525 K526 R532S524-T528 WeakPolarHBondContact O-CB 3.35Å; S524-T528 PolarHBondContact O-N 2.98Å; S524-T528 PolarHBondContact O-OG1 3.48Å; E525-T528 PolarHBondContact O-N 3.12Å; K526-T528 VanDerWaalsContact C-N 3.33Å; K526-T528 PolarHBondContact O-N 3.44Å; T528-R532 VanDerWaalsContact O-CB 3.31Å; T528-R532 WeakPolarHBondContact O-CB 3.48Å; T528-R532 PolarHBondContact O-N 3.42Å
529E92.9Very high92.5Very high90 Ų9063.5 Ų63.542%0.42130%0.299SS..Hα-helixtrans-62.9-47.4175.7-167-164.6154.200112.3E525 K526 M527 R532 K533E525-E529 PolarHBondContact O-N 3.35Å; K526-E529 PolarHBondContact O-N 3.18Å; M527-E529 VanDerWaalsContact C-N 3.33Å; M527-E529 PolarHBondContact O-N 3.08Å; E529-R532 PolarHBondContact O-N 3.24Å; E529-K533 WeakPolarHBondContact O-CG 3.35Å; E529-K533 PolarHBondContact O-N 3.43Å; E529-K533 WeakPolarHBondContact OE1-CE 3.44Å; E529-K533 IonicContact OE1-NZ 2.67Å; E529-K533 PolarHBondContact OE1-NZ 3.43Å
530V93.5Very high92.6Very high4 Ų464.4 Ų64.42%0.02431%0.306CS..Hα-helixtrans-66.4-42.9179.6177.40000110.8L445 E448 I449 L452 K526 M527 R532 K533 Y534L445-V530 HydrophobicContact CD2-CG1 4.02Å; E448-V530 HydrophobicContact CB-CG1 4.3Å; E448-V530 HydrophobicContact CG-CG1 4.26Å; E448-V530 HydrophobicContact CG-CG2 4.12Å; I449-V530 HydrophobicContact CD1-CG1 4.23Å; I449-V530 HydrophobicContact CG1-CB 4.5Å; I449-V530 HydrophobicContact CG1-CG1 3.57Å; L452-V530 HydrophobicContact CD1-CB 4.37Å; L452-V530 HydrophobicContact CD1-CG2 3.98Å; K526-V530 HydrophobicContact CG-CG2 4.43Å; K526-V530 VanDerWaalsContact O-CG2 3.3Å; K526-V530 WeakPolarHBondContact O-CG2 3.19Å; K526-V530 PolarHBondContact O-N 3.31Å; M527-V530 PolarHBondContact O-N 2.84Å; V530-R532 VanDerWaalsContact C-N 3.34Å; V530-R532 PolarHBondContact O-N 3.48Å; V530-K533 PolarHBondContact O-N 3.39Å; V530-Y534 WeakPolarHBondContact O-CB 3.25Å; V530-Y534 PolarHBondContact O-N 3.27Å
531K92.5Very high92.7Very high81 Ų8165.4 Ų65.435%0.35231%0.312SS..Hα-helixtrans-63.1-38.3175.1-76.7-173.1174.5-172.30112.3I449 Y485 M527 Y534 G535I449-K531 HydrophobicContact CD1-CG 4.18Å; I449-K531 HydrophobicContact CG1-CG 4.39Å; Y485-K531 PolarHBondContact OH-NZ 2.99Å; M527-K531 HydrophobicContact CG-CD 4.11Å; M527-K531 HydrophobicContact CG-CG 4.4Å; M527-K531 VanDerWaalsContact O-CB 3.31Å; M527-K531 WeakPolarHBondContact O-CB 3.39Å; M527-K531 WeakPolarHBondContact O-CG 3.42Å; M527-K531 PolarHBondContact O-N 3.03Å; M527-K531 HydrophobicContact SD-CD 4.11Å; M527-K531 VanDerWaalsContact SD-CE 3.56Å; M527-K531 HydrophobicContact SD-CG 4.06Å; K531-Y534 PolarHBondContact O-N 3.28Å; K531-G535 PolarHBondContact O-N 3.38Å
532R92.8Very high92.8Very high123 Ų12364.8 Ų64.846%0.46431%0.307SS..Hα-helixtrans-61.3-50.1172.9-175.8-170.363.776.64.2110.9T528 E529 V530 Y534 G535 E536T528-R532 VanDerWaalsContact O-CB 3.31Å; T528-R532 WeakPolarHBondContact O-CB 3.48Å; T528-R532 PolarHBondContact O-N 3.42Å; E529-R532 PolarHBondContact O-N 3.24Å; V530-R532 VanDerWaalsContact C-N 3.34Å; V530-R532 PolarHBondContact O-N 3.48Å; R532-Y534 VanDerWaalsContact C-N 3.34Å; R532-Y534 PolarHBondContact O-N 3.23Å; R532-G535 PolarHBondContact O-N 2.94Å; R532-E536 IonicContact CZ-OE1 3.57Å; R532-E536 IonicContact CZ-OE2 3.64Å; R532-E536 IonicContact NH1-OE1 2.72Å; R532-E536 PolarHBondContact NH1-OE1 3.35Å; R532-E536 IonicContact NH1-OE2 2.68Å; R532-E536 PolarHBondContact NH1-OE2 3.38Å; R532-E536 WeakPolarHBondContact O-CG 3.48Å; R532-E536 PolarHBondContact O-N 2.96Å
533K93.7Very high92.7Very high85 Ų8562.8 Ų62.837%0.3730%0.3SS..Hα-helixtrans-58.6-43.4176.7-75.8171.5169.1168.10112.1L445 E529 V530 E536 L537L445-K533 HydrophobicContact CD1-CB 4.26Å; L445-K533 HydrophobicContact CD2-CB 4.3Å; E529-K533 WeakPolarHBondContact O-CG 3.35Å; E529-K533 PolarHBondContact O-N 3.43Å; E529-K533 WeakPolarHBondContact OE1-CE 3.44Å; E529-K533 IonicContact OE1-NZ 2.67Å; E529-K533 PolarHBondContact OE1-NZ 3.43Å; V530-K533 PolarHBondContact O-N 3.39Å; K533-E536 PolarHBondContact O-N 2.92Å; K533-L537 PolarHBondContact O-N 2.88Å
534Y93.8Very high92.7Very high25 Ų2565.4 Ų65.410%0.09832%0.317CS..Hα-helixtrans-61.2-45.9175.1-175.5-84.6000111.4L442 L445 H446 I449 V530 K531 R532 E536 L537 Q538L442-Y534 HydrophobicContact CB-CE2 4.46Å; L442-Y534 HydrophobicContact CD2-CD2 3.99Å; L442-Y534 HydrophobicContact CD2-CE2 3.85Å; L445-Y534 HydrophobicContact CB-CD2 4.02Å; H446-Y534 HydrophobicContact CB-CE2 4.16Å; I449-Y534 HydrophobicContact CD1-CD2 4.11Å; I449-Y534 HydrophobicContact CD1-CG 4.04Å; V530-Y534 WeakPolarHBondContact O-CB 3.25Å; V530-Y534 PolarHBondContact O-N 3.27Å; K531-Y534 PolarHBondContact O-N 3.28Å; R532-Y534 VanDerWaalsContact C-N 3.34Å; R532-Y534 PolarHBondContact O-N 3.23Å; Y534-E536 PolarHBondContact O-N 2.85Å; Y534-L537 PolarHBondContact O-N 3.39Å; Y534-Q538 HydrophobicContact CE1-CB 4.45Å; Y534-Q538 VanDerWaalsContact O-CB 3.25Å; Y534-Q538 WeakPolarHBondContact O-CB 2.86Å; Y534-Q538 PolarHBondContact O-N 2.98Å
535G92.5Very high92.7Very high34 Ų3465.6 Ų65.635%0.35132%0.318SS..Hα-helixtrans-61.9-41177.500000113.5K531 R532 K539K531-G535 PolarHBondContact O-N 3.38Å; R532-G535 PolarHBondContact O-N 2.94Å; G535-K539 VanDerWaalsContact O-CB 3.31Å; G535-K539 WeakPolarHBondContact O-CB 3.28Å; G535-K539 PolarHBondContact O-N 2.72Å
536E93.1Very high92.7Very high104 Ų10460.2 Ų60.249%0.48629%0.293SS..Hα-helixtrans-64.5-45.6176.3-75170.3-178.100112.2R532 K533 Y534 K539 K540R532-E536 IonicContact CZ-OE1 3.57Å; R532-E536 IonicContact CZ-OE2 3.64Å; R532-E536 IonicContact NH1-OE1 2.72Å; R532-E536 PolarHBondContact NH1-OE1 3.35Å; R532-E536 IonicContact NH1-OE2 2.68Å; R532-E536 PolarHBondContact NH1-OE2 3.38Å; R532-E536 WeakPolarHBondContact O-CG 3.48Å; R532-E536 PolarHBondContact O-N 2.96Å; K533-E536 PolarHBondContact O-N 2.92Å; Y534-E536 PolarHBondContact O-N 2.85Å; E536-K539 PolarHBondContact O-N 2.98Å; E536-K540 PolarHBondContact O-N 3.35Å
537L92.5Very high92.6Very high42 Ų4261.6 Ų61.622%0.2230%0.301CS..Hα-helixtrans-69.1-39.4178.3-174.961.2000112L442 L445 K533 Y534 K540 T541L442-L537 HydrophobicContact CB-CD2 4.45Å; L442-L537 HydrophobicContact CD2-CB 3.93Å; L442-L537 HydrophobicContact CD2-CD2 3.67Å; L442-L537 HydrophobicContact CD2-CG 3.73Å; L442-L537 HydrophobicContact CG-CD2 3.66Å; L442-L537 HydrophobicContact CG-CG 3.93Å; L445-L537 HydrophobicContact CD1-CD2 4.31Å; K533-L537 PolarHBondContact O-N 2.88Å; Y534-L537 PolarHBondContact O-N 3.39Å; L537-K540 PolarHBondContact O-N 2.97Å; L537-T541 PolarHBondContact O-N 3.12Å; L537-T541 PolarHBondContact O-OG1 2.88Å
538Q93.9Very high92.6Very high42 Ų4264.9 Ų64.920%0.19632%0.321CS..Hα-helixtrans-60.2-47.1173-176.3174.2-87.100110.2I434 Y534 K540 T541 V542I434-Q538 HydrophobicContact CB-CG 4.24Å; I434-Q538 HydrophobicContact CG1-CG 3.87Å; Y534-Q538 HydrophobicContact CE1-CB 4.45Å; Y534-Q538 VanDerWaalsContact O-CB 3.25Å; Y534-Q538 WeakPolarHBondContact O-CB 2.86Å; Y534-Q538 PolarHBondContact O-N 2.98Å; Q538-K540 PolarHBondContact O-N 2.9Å; Q538-T541 WeakPolarHBondContact O-CB 3.4Å; Q538-T541 PolarHBondContact O-N 2.65Å; Q538-T541 VanDerWaalsContact O-N 3.11Å; Q538-V542 HydrophobicContact CG-CG2 4.39Å; Q538-V542 WeakPolarHBondContact O-CG2 3.24Å; Q538-V542 PolarHBondContact O-N 3.42Å
539K92.2Very high92.7Very high137 Ų13761.9 Ų61.960%0.59630%0.302SS*.Hα-helixtrans-57.1-47.7177.2-176179.2177.8-177.70111.5G535 E536 T541 V542 D543G535-K539 VanDerWaalsContact O-CB 3.31Å; G535-K539 WeakPolarHBondContact O-CB 3.28Å; G535-K539 PolarHBondContact O-N 2.72Å; E536-K539 PolarHBondContact O-N 2.98Å; K539-T541 VanDerWaalsContact C-N 3.26Å; K539-T541 PolarHBondContact O-N 3.18Å; K539-V542 WeakPolarHBondContact O-CB 3.36Å; K539-V542 PolarHBondContact O-N 2.65Å; K539-V542 VanDerWaalsContact O-N 3.12Å; K539-D543 VanDerWaalsContact O-CG 3.23Å; K539-D543 PolarHBondContact O-N 3.3Å
540K92.8Very high92.5Very high143 Ų14359.3 Ų59.362%0.62230%0.296SS*.Hα-helixtrans-57.6-39.3176-173.7-179.8178.9-176.70112.7E536 L537 Q538 T544E536-K540 PolarHBondContact O-N 3.35Å; L537-K540 PolarHBondContact O-N 2.97Å; Q538-K540 PolarHBondContact O-N 2.9Å; K540-T544 PolarHBondContact O-N 3.42Å; K540-T544 VanDerWaalsContact O-N 3.09Å; K540-T544 PolarHBondContact O-OG1 3.27Å
541T92.6Very high92.3Very high21 Ų2162.2 Ų62.213%0.12933%0.328CS..Hα-helixtrans-68.4-41.5177.2-52.60000111.4I434 F438 L537 Q538 K539 T544 M545I434-T541 HydrophobicContact CD1-CG2 4.35Å; I434-T541 HydrophobicContact CG1-CG2 4.26Å; I434-T541 HydrophobicContact CG2-CG2 4.13Å; F438-T541 HydrophobicContact CD1-CG2 4.04Å; F438-T541 HydrophobicContact CE1-CG2 3.95Å; L537-T541 PolarHBondContact O-N 3.12Å; L537-T541 PolarHBondContact O-OG1 2.88Å; Q538-T541 WeakPolarHBondContact O-CB 3.4Å; Q538-T541 PolarHBondContact O-N 2.65Å; Q538-T541 VanDerWaalsContact O-N 3.11Å; K539-T541 VanDerWaalsContact C-N 3.26Å; K539-T541 PolarHBondContact O-N 3.18Å; T541-T544 PolarHBondContact O-N 3.42Å; T541-M545 WeakPolarHBondContact O-CB 3.5Å; T541-M545 PolarHBondContact O-N 2.91Å
542V93.1Very high92.3Very high20 Ų2060.2 Ų60.212%0.12132%0.318CS..Hα-helixtrans-61.7-47.3174.2174.10000110.7L366 I434 Q538 K539 T544 M545 V546L366-V542 HydrophobicContact CD1-CG2 3.83Å; L366-V542 HydrophobicContact CD2-CG1 4.37Å; L366-V542 HydrophobicContact CD2-CG2 3.95Å; L366-V542 HydrophobicContact CG-CG1 4.23Å; L366-V542 HydrophobicContact CG-CG2 3.79Å; I434-V542 HydrophobicContact CD1-CG2 4.11Å; I434-V542 HydrophobicContact CG1-CG2 4.02Å; Q538-V542 HydrophobicContact CG-CG2 4.39Å; Q538-V542 WeakPolarHBondContact O-CG2 3.24Å; Q538-V542 PolarHBondContact O-N 3.42Å; K539-V542 WeakPolarHBondContact O-CB 3.36Å; K539-V542 PolarHBondContact O-N 2.65Å; K539-V542 VanDerWaalsContact O-N 3.12Å; V542-T544 VanDerWaalsContact C-N 3.29Å; V542-T544 PolarHBondContact O-N 3.42Å; V542-M545 CarbonylContact O-C 3.56Å; V542-M545 WeakPolarHBondContact O-CA 3.4Å; V542-M545 WeakPolarHBondContact O-CB 3.27Å; V542-M545 PolarHBondContact O-N 3.38Å; V542-V546 HydrophobicContact CG1-CG2 4.33Å; V542-V546 WeakPolarHBondContact O-CG2 3.41Å; V542-V546 PolarHBondContact O-N 2.9Å
543D91.3Very high92Very high80 Ų8055 Ų5543%0.42830%0.299SS..Hα-helixtrans-58.3-43178.7-64.8-21.7000110.8K539 M545 V546 E547K539-D543 VanDerWaalsContact O-CG 3.23Å; K539-D543 PolarHBondContact O-N 3.3Å; D543-M545 PolarHBondContact O-N 3.32Å; D543-V546 PolarHBondContact O-N 3.05Å; D543-E547 WeakPolarHBondContact O-CG 3.48Å; D543-E547 PolarHBondContact O-N 2.96Å
544T92.4Very high91.6Very high75 Ų7555 Ų5546%0.4630%0.301SS..Hα-helixtrans-62.8-42174.8-52.60000111.6K540 T541 V542 V546 E547 V548K540-T544 PolarHBondContact O-N 3.42Å; K540-T544 VanDerWaalsContact O-N 3.09Å; K540-T544 PolarHBondContact O-OG1 3.27Å; T541-T544 PolarHBondContact O-N 3.42Å; V542-T544 VanDerWaalsContact C-N 3.29Å; V542-T544 PolarHBondContact O-N 3.42Å; T544-V546 VanDerWaalsContact C-N 3.35Å; T544-V546 PolarHBondContact O-N 3.09Å; T544-E547 PolarHBondContact O-N 3.23Å; T544-V548 WeakPolarHBondContact O-CG2 3.31Å; T544-V548 PolarHBondContact O-N 2.83Å
545M93.3Very high91.5Very high8 Ų855 Ų554%0.03930%0.304CS..Hα-helixtrans-64.2-39.4177.5-169.7-177.1-175.900111.9L366 I369 M416 V417 T420 T541 V542 D543 V548 T549L366-M545 HydrophobicContact CD2-SD 3.88Å; I369-M545 HydrophobicContact CD1-CG 4.09Å; I369-M545 HydrophobicContact CD1-SD 4.15Å; I369-M545 HydrophobicContact CG2-CE 3.62Å; I369-M545 HydrophobicContact CG2-SD 4.48Å; M416-M545 HydrophobicContact CE-CE 4.05Å; M416-M545 HydrophobicContact CE-CG 4.06Å; M416-M545 HydrophobicContact SD-CG 4.35Å; V417-M545 HydrophobicContact CB-CE 4.07Å; V417-M545 HydrophobicContact CG1-CE 4.24Å; V417-M545 HydrophobicContact CG2-CE 3.59Å; T420-M545 WeakPolarHBondContact OG1-CE 3.45Å; T541-M545 WeakPolarHBondContact O-CB 3.5Å; T541-M545 PolarHBondContact O-N 2.91Å; V542-M545 CarbonylContact O-C 3.56Å; V542-M545 WeakPolarHBondContact O-CA 3.4Å; V542-M545 WeakPolarHBondContact O-CB 3.27Å; V542-M545 PolarHBondContact O-N 3.38Å; D543-M545 PolarHBondContact O-N 3.32Å; M545-V548 PolarHBondContact O-N 3.33Å; M545-T549 VanDerWaalsContact O-CB 3.31Å; M545-T549 WeakPolarHBondContact O-CB 3.33Å; M545-T549 PolarHBondContact O-N 3.36Å; M545-T549 PolarHBondContact O-OG1 3.3Å
546V92.1Very high91.5Very high6 Ų653.4 Ų53.44%0.03629%0.287CS..Hα-helixtrans-61.6-44.2174.4172.10000110.2L359 V364 I369 V542 D543 T544 T549 A550L359-V546 HydrophobicContact CD1-CG1 4.14Å; V364-V546 HydrophobicContact CG1-CG2 4.34Å; V364-V546 WeakPolarHBondContact O-CG2 3.46Å; I369-V546 HydrophobicContact CD1-CG2 3.97Å; V542-V546 HydrophobicContact CG1-CG2 4.33Å; V542-V546 WeakPolarHBondContact O-CG2 3.41Å; V542-V546 PolarHBondContact O-N 2.9Å; D543-V546 PolarHBondContact O-N 3.05Å; T544-V546 VanDerWaalsContact C-N 3.35Å; T544-V546 PolarHBondContact O-N 3.09Å; V546-T549 PolarHBondContact O-N 2.73Å; V546-A550 WeakPolarHBondContact O-CB 3.31Å; V546-A550 PolarHBondContact O-N 2.84Å
547E90Very high90.9Very high108 Ų10850.3 Ų50.351%0.50527%0.272SS..Hα-helixtrans-63.3-43.1177.9-71.4-175.1159.400113.1K362 D543 T544 T549 A550K362-E547 IonicContact NZ-OE1 3.9Å; K362-E547 PolarHBondContact NZ-OE1 3.1Å; D543-E547 WeakPolarHBondContact O-CG 3.48Å; D543-E547 PolarHBondContact O-N 2.96Å; T544-E547 PolarHBondContact O-N 3.23Å; E547-T549 VanDerWaalsContact C-N 3.34Å; E547-A550 PolarHBondContact O-N 3.47Å
548V92.6Very high90.6Very high69 Ų6952.6 Ų52.642%0.41828%0.282SS..Hα-helixtrans-65.8-40.3174.9177.80000110.8M416 T544 M545 A550 G551 Y552M416-V548 HydrophobicContact CE-CG1 4.38Å; M416-V548 HydrophobicContact SD-CB 3.9Å; M416-V548 HydrophobicContact SD-CG1 3.47Å; M416-V548 WeakPolarHBondContact SD-CG1 3.27Å; T544-V548 WeakPolarHBondContact O-CG2 3.31Å; T544-V548 PolarHBondContact O-N 2.83Å; M545-V548 PolarHBondContact O-N 3.33Å; V548-A550 VanDerWaalsContact C-N 3.32Å; V548-A550 PolarHBondContact O-N 2.96Å; V548-G551 PolarHBondContact O-N 2.92Å; V548-G551 VanDerWaalsContact O-N 3.11Å; V548-Y552 HydrophobicContact CG1-CE2 4.37Å; V548-Y552 WeakPolarHBondContact O-CD2 2.93Å
549T93.6Very high90.6Very high2 Ų250.6 Ų50.61%0.01227%0.272CS..Hα-helixtrans-63.9-37.3177.9-55.90000111.4L359 F413 M416 M545 V546 E547 G551 Y552 F556L359-T549 HydrophobicContact CD1-CG2 3.91Å; L359-T549 HydrophobicContact CD2-CG2 3.88Å; F413-T549 HydrophobicContact CD2-CG2 4.36Å; F413-T549 HydrophobicContact CE2-CG2 3.69Å; F413-T549 HydrophobicContact CZ-CG2 4.47Å; M416-T549 WeakPolarHBondContact CE-OG1 3.28Å; M545-T549 VanDerWaalsContact O-CB 3.31Å; M545-T549 WeakPolarHBondContact O-CB 3.33Å; M545-T549 PolarHBondContact O-N 3.36Å; M545-T549 PolarHBondContact O-OG1 3.3Å; V546-T549 PolarHBondContact O-N 2.73Å; E547-T549 VanDerWaalsContact C-N 3.34Å; T549-G551 PolarHBondContact O-N 2.82Å; T549-G551 VanDerWaalsContact O-N 3.16Å; T549-Y552 WeakPolarHBondContact O-CB 3.06Å; T549-Y552 PolarHBondContact O-N 2.9Å; T549-F556 HydrophobicContact CG2-CE2 3.9Å; T549-F556 HydrophobicContact CG2-CZ 4.41Å
550A88.2Confident90.3Very high36 Ų3644.2 Ų44.230%0.29825%0.245SC..Hα-helixtrans-59.5-24.7175.100000112.9L359 V546 E547 V548 Y552 L553L359-A550 HydrophobicContact CD1-CB 4.37Å; L359-A550 HydrophobicContact CG-CB 4.17Å; V546-A550 WeakPolarHBondContact O-CB 3.31Å; V546-A550 PolarHBondContact O-N 2.84Å; E547-A550 PolarHBondContact O-N 3.47Å; V548-A550 VanDerWaalsContact C-N 3.32Å; V548-A550 PolarHBondContact O-N 2.96Å; A550-Y552 PolarHBondContact O-N 3.45Å; A550-L553 WeakPolarHBondContact O-CB 3.24Å; A550-L553 PolarHBondContact O-N 2.89Å
551G88.7Confident89.7Confident66 Ų6641.3 Ų41.368%0.6824%0.236SC*.THydrogen-bonded Turntrans-63.7-20.1171.300000114.7V548 T549V548-G551 PolarHBondContact O-N 2.92Å; V548-G551 VanDerWaalsContact O-N 3.11Å; T549-G551 PolarHBondContact O-N 2.82Å; T549-G551 VanDerWaalsContact O-N 3.16Å
552Y92.2Very high89.4Confident39 Ų3941.1 Ų41.115%0.15323%0.234CC..THydrogen-bonded Turntrans-95.411178.6-64-91.4000113.3D409 F410 K412 F413 V548 T549 A550 E554 P555 F556D409-Y552 WeakPolarHBondContact O-CE1 3.4Å; F410-Y552 HydrophobicContact CD1-CD1 4.11Å; F410-Y552 HydrophobicContact CE1-CD1 4.49Å; K412-Y552 VanDerWaalsContact CB-OH 3.25Å; K412-Y552 WeakPolarHBondContact CB-OH 3.41Å; F413-Y552 HydrophobicContact CB-CD1 4.09Å; F413-Y552 HydrophobicContact CB-CD2 4.29Å; F413-Y552 HydrophobicContact CB-CE1 3.82Å; F413-Y552 HydrophobicContact CB-CE2 4.03Å; F413-Y552 HydrophobicContact CB-CG 4.31Å; F413-Y552 HydrophobicContact CD2-CD2 4.32Å; F413-Y552 HydrophobicContact CD2-CE2 4.49Å; F413-Y552 PolarHBondContact N-OH 2.94Å; V548-Y552 HydrophobicContact CG1-CE2 4.37Å; V548-Y552 WeakPolarHBondContact O-CD2 2.93Å; T549-Y552 WeakPolarHBondContact O-CB 3.06Å; T549-Y552 PolarHBondContact O-N 2.9Å; A550-Y552 PolarHBondContact O-N 3.45Å; Y552-E554 VanDerWaalsContact C-N 3.28Å; Y552-E554 PolarHBondContact O-N 2.84Å; Y552-P555 VanDerWaalsContact O-CD 3.28Å; Y552-P555 WeakPolarHBondContact O-CD 3.21Å; Y552-F556 WeakPolarHBondContact O-CD2 3.26Å; Y552-F556 WeakPolarHBondContact O-CG 3.29Å; Y552-F556 PolarHBondContact O-N 3.19Å
553L87.5Confident89.4Confident13 Ų1340.8 Ų40.87%0.06823%0.232CC..Hα-helixtrans-56.3-40-176.6-174.769.9000113.1S356 V360 A550 F556 K557S356-L553 WeakPolarHBondContact O-CD1 3.29Å; V360-L553 HydrophobicContact CG2-CD1 3.7Å; V360-L553 HydrophobicContact CG2-CD2 3.31Å; V360-L553 HydrophobicContact CG2-CG 4.15Å; A550-L553 WeakPolarHBondContact O-CB 3.24Å; A550-L553 PolarHBondContact O-N 2.89Å; L553-F556 PolarHBondContact O-N 3.49Å; L553-K557 WeakPolarHBondContact O-CG 3.38Å; L553-K557 PolarHBondContact O-N 3.17Å
554E84.5Confident89.1Confident86 Ų8639 Ų3940%0.40223%0.229SC..Hα-helixtrans-68.1-50.7180-66.8-66.5137.200112.7K249 Y552 F556 K557 H558K249-E554 IonicContact NZ-OE1 3.56Å; K249-E554 PolarHBondContact NZ-OE1 3Å; K249-E554 IonicContact NZ-OE2 2.86Å; K249-E554 PolarHBondContact NZ-OE2 3.48Å; Y552-E554 VanDerWaalsContact C-N 3.28Å; Y552-E554 PolarHBondContact O-N 2.84Å; E554-F556 PolarHBondContact O-N 3.39Å; E554-K557 PolarHBondContact O-N 3.09Å; E554-H558 PolarHBondContact O-N 3.22Å
555P91.9Very high88.8Confident25 Ų2538.4 Ų38.416%0.16223%0.227CC..Hα-helixtrans-51.2-42.4167.3-30.333.9000113.3L406 D409 F410 Y552 H558 F559L406-P555 HydrophobicContact CD2-CB 4.4Å; L406-P555 WeakPolarHBondContact CD2-O 3.33Å; D409-P555 HydrophobicContact CB-CB 4.4Å; D409-P555 HydrophobicContact CB-CG 4.36Å; F410-P555 HydrophobicContact CD1-CB 4.31Å; F410-P555 HydrophobicContact CE1-CB 3.51Å; F410-P555 HydrophobicContact CE2-CB 4.33Å; F410-P555 HydrophobicContact CZ-CB 3.52Å; Y552-P555 VanDerWaalsContact O-CD 3.28Å; Y552-P555 WeakPolarHBondContact O-CD 3.21Å; P555-H558 PolarHBondContact O-N 2.98Å; P555-F559 VanDerWaalsContact O-CB 3.24Å; P555-F559 WeakPolarHBondContact O-CB 3.36Å; P555-F559 PolarHBondContact O-N 3.25Å
556F92.1Very high88.6Confident0 Ų038.1 Ų38.10%023%0.226CC..Hα-helixtrans-65.2-42.1178-71.3-45.3000113I352 L359 M372 V376 F410 F413 T549 Y552 L553 E554 F559 G560I352-F556 HydrophobicContact CG2-CB 4.42Å; I352-F556 WeakPolarHBondContact CG2-O 3.49Å; L359-F556 HydrophobicContact CD2-CD2 4.21Å; L359-F556 HydrophobicContact CD2-CE2 4.26Å; M372-F556 HydrophobicContact CB-CE1 4.26Å; M372-F556 HydrophobicContact CB-CZ 4.24Å; M372-F556 HydrophobicContact CE-CB 3.9Å; M372-F556 HydrophobicContact CE-CD1 3.01Å; M372-F556 HydrophobicContact CE-CD2 3.81Å; M372-F556 HydrophobicContact CE-CE1 3.29Å; M372-F556 HydrophobicContact CE-CE2 4.03Å; M372-F556 HydrophobicContact CE-CG 3.31Å; M372-F556 HydrophobicContact CE-CZ 3.81Å; V376-F556 HydrophobicContact CG2-CE1 3.91Å; F410-F556 HydrophobicContact CD1-CD1 4.4Å; F410-F556 AromaticContact CD1-CE1 3.94Å; F410-F556 HydrophobicContact CD1-CE1 3.94Å; F410-F556 HydrophobicContact CD1-CZ 4.38Å; F410-F556 AromaticContact CE1-CD1 3.29Å; F410-F556 HydrophobicContact CE1-CD1 3.29Å; F410-F556 AromaticContact CE1-CE1 3.21Å; F410-F556 HydrophobicContact CE1-CE1 3.21Å; F410-F556 HydrophobicContact CE1-CE2 4.46Å; F410-F556 AromaticContact CE1-CG 3.98Å; F410-F556 HydrophobicContact CE1-CG 3.98Å; F410-F556 AromaticContact CE1-CZ 3.85Å; F410-F556 HydrophobicContact CE1-CZ 3.85Å; F410-F556 HydrophobicContact CE2-CD1 4.42Å; F410-F556 AromaticContact CZ-CD1 3.31Å; F410-F556 HydrophobicContact CZ-CD1 3.31Å; F410-F556 AromaticContact CZ-CE1 3.64Å; F410-F556 HydrophobicContact CZ-CE1 3.64Å; F410-F556 HydrophobicContact CZ-CG 4.12Å; F413-F556 HydrophobicContact CD1-CZ 4.17Å; F413-F556 HydrophobicContact CD2-CZ 4.35Å; F413-F556 HydrophobicContact CE1-CE1 4.22Å; F413-F556 AromaticContact CE1-CZ 3.84Å; F413-F556 HydrophobicContact CE1-CZ 3.84Å; F413-F556 HydrophobicContact CE2-CZ 4.06Å; F413-F556 HydrophobicContact CG-CZ 4.41Å; F413-F556 AromaticContact CZ-CZ 3.8Å; F413-F556 HydrophobicContact CZ-CZ 3.8Å; T549-F556 HydrophobicContact CG2-CE2 3.9Å; T549-F556 HydrophobicContact CG2-CZ 4.41Å; Y552-F556 WeakPolarHBondContact O-CD2 3.26Å; Y552-F556 WeakPolarHBondContact O-CG 3.29Å; Y552-F556 PolarHBondContact O-N 3.19Å; L553-F556 PolarHBondContact O-N 3.49Å; E554-F556 PolarHBondContact O-N 3.39Å; F556-F559 PolarHBondContact O-N 3.48Å; F556-G560 PolarHBondContact O-N 2.91Å
557K82.3Confident88.7Confident39 Ų3941.3 Ų41.317%0.1724%0.242CC..Hα-helixtrans-61-45174.1-75.7-180178.4-176.20111.5L553 E554 G560 N561L553-K557 WeakPolarHBondContact O-CG 3.38Å; L553-K557 PolarHBondContact O-N 3.17Å; E554-K557 PolarHBondContact O-N 3.09Å; K557-G560 PolarHBondContact O-N 3.47Å; K557-N561 PolarHBondContact O-N 2.98Å
558H85.6Confident88.7Confident90 Ų9039.5 Ų39.542%0.41724%0.239SC..Hα-helixtrans-62.3-45.1177.3-174.952.6000111.3L406 E554 P555 N561 L562L406-H558 HydrophobicContact CD2-CB 4.4Å; E554-H558 PolarHBondContact O-N 3.22Å; P555-H558 PolarHBondContact O-N 2.98Å; H558-N561 PolarHBondContact O-N 2.87Å; H558-L562 WeakPolarHBondContact O-CB 3.26Å; H558-L562 PolarHBondContact O-N 3.45Å
559F92.6Very high88.6Confident0 Ų036.9 Ų36.90%022%0.222CC..Hα-helixtrans-59.5-47.6175.4175.7-140.9000112.5F349 I352 A375 V376 I379 L406 F410 P555 F556 N561 L562 I563F349-F559 AromaticContact CD1-CZ 3.82Å; F349-F559 HydrophobicContact CD1-CZ 3.82Å; F349-F559 HydrophobicContact CE1-CE2 4.12Å; F349-F559 AromaticContact CE1-CZ 3.6Å; F349-F559 HydrophobicContact CE1-CZ 3.6Å; F349-F559 HydrophobicContact CZ-CZ 4.41Å; I352-F559 HydrophobicContact CD1-CD1 3.49Å; I352-F559 VanDerWaalsContact CD1-CD1 3.49Å; I352-F559 HydrophobicContact CD1-CD2 4.38Å; I352-F559 HydrophobicContact CD1-CE1 3.34Å; I352-F559 HydrophobicContact CD1-CE2 4.26Å; I352-F559 HydrophobicContact CD1-CG 4.02Å; I352-F559 HydrophobicContact CD1-CZ 3.75Å; I352-F559 HydrophobicContact CG1-CD1 4.18Å; I352-F559 HydrophobicContact CG1-CE1 4.07Å; I352-F559 HydrophobicContact CG2-CD1 4.47Å; A375-F559 HydrophobicContact CB-CE1 3.86Å; A375-F559 HydrophobicContact CB-CZ 4.18Å; V376-F559 HydrophobicContact CG2-CE1 4.37Å; I379-F559 HydrophobicContact CD1-CD1 4.49Å; I379-F559 HydrophobicContact CD1-CD2 3.92Å; I379-F559 HydrophobicContact CD1-CE1 4.25Å; I379-F559 HydrophobicContact CD1-CE2 3.65Å; I379-F559 HydrophobicContact CD1-CG 4.35Å; I379-F559 HydrophobicContact CD1-CZ 3.84Å; I379-F559 HydrophobicContact CG1-CD2 4.31Å; I379-F559 HydrophobicContact CG1-CE2 3.58Å; I379-F559 HydrophobicContact CG1-CZ 3.75Å; L406-F559 HydrophobicContact CD1-CB 3.83Å; L406-F559 HydrophobicContact CD1-CD2 4.08Å; L406-F559 HydrophobicContact CD1-CG 4.36Å; L406-F559 HydrophobicContact CD2-CB 4.18Å; F410-F559 HydrophobicContact CE2-CB 4.09Å; F410-F559 HydrophobicContact CE2-CD1 4.22Å; F410-F559 HydrophobicContact CE2-CG 4.25Å; F410-F559 HydrophobicContact CZ-CB 4.25Å; F410-F559 HydrophobicContact CZ-CD1 4.44Å; P555-F559 VanDerWaalsContact O-CB 3.24Å; P555-F559 WeakPolarHBondContact O-CB 3.36Å; P555-F559 PolarHBondContact O-N 3.25Å; F556-F559 PolarHBondContact O-N 3.48Å; F559-N561 PolarHBondContact O-N 2.93Å; F559-L562 PolarHBondContact O-N 2.9Å; F559-I563 HydrophobicContact CD2-CD1 4.33Å; F559-I563 HydrophobicContact CD2-CG1 3.63Å; F559-I563 HydrophobicContact CE2-CD1 3.76Å; F559-I563 HydrophobicContact CE2-CG1 3.25Å; F559-I563 HydrophobicContact CZ-CG1 4.05Å; F559-I563 WeakPolarHBondContact O-CG1 3.31Å; F559-I563 PolarHBondContact O-N 2.93Å
560G87.5Confident88.6Confident2 Ų236.8 Ų36.82%0.02122%0.222CC..Hα-helixtrans-58.6-47.117700000112.2H353 F556 K557 L562 I563 A564H353-G560 PolarHBondContact CE1-O 3.07Å; F556-G560 PolarHBondContact O-N 2.91Å; K557-G560 PolarHBondContact O-N 3.47Å; G560-L562 VanDerWaalsContact C-N 3.32Å; G560-L562 PolarHBondContact O-N 3.07Å; G560-I563 PolarHBondContact O-N 3.04Å; G560-A564 VanDerWaalsContact O-CB 3.29Å; G560-A564 WeakPolarHBondContact O-CB 3.43Å; G560-A564 PolarHBondContact O-N 2.88Å
561N79.4Confident88.9Confident83 Ų8337.8 Ų37.844%0.44423%0.227SC..Hα-helixtrans-62-40.1178.2-72-15.6000112.4H353 K557 H558 F559 S565H353-N561 PolarHBondContact NE2-OD1 2.99Å; K557-N561 PolarHBondContact O-N 2.98Å; H558-N561 PolarHBondContact O-N 2.87Å; F559-N561 PolarHBondContact O-N 2.93Å; N561-S565 WeakPolarHBondContact O-CB 3.29Å; N561-S565 PolarHBondContact O-N 2.89Å; N561-S565 PolarHBondContact O-OG 3.08Å
562L87.4Confident89.2Confident16 Ų1636.7 Ų36.78%0.08420%0.203CC..Hα-helixtrans-67.4-45.8-179.7-172.461.9000111.7Y398 F399 P402 L403 L406 H558 F559 G560 S565 L566Y398-L562 VanDerWaalsContact O-CD1 3.27Å; Y398-L562 WeakPolarHBondContact O-CD1 3.25Å; F399-L562 HydrophobicContact CD1-CD1 3.66Å; F399-L562 HydrophobicContact CD1-CG 4.23Å; F399-L562 HydrophobicContact CE1-CD1 3.94Å; P402-L562 HydrophobicContact CB-CD1 4.47Å; P402-L562 HydrophobicContact CB-CD2 3.8Å; L403-L562 HydrophobicContact CD2-CD2 3.57Å; L403-L562 HydrophobicContact CD2-CG 4.41Å; L403-L562 HydrophobicContact CG-CD2 3.72Å; L406-L562 HydrophobicContact CD1-CD2 3.88Å; H558-L562 WeakPolarHBondContact O-CB 3.26Å; H558-L562 PolarHBondContact O-N 3.45Å; F559-L562 PolarHBondContact O-N 2.9Å; G560-L562 VanDerWaalsContact C-N 3.32Å; G560-L562 PolarHBondContact O-N 3.07Å; L562-S565 PolarHBondContact O-N 2.92Å; L562-L566 WeakPolarHBondContact O-CB 3.33Å; L562-L566 PolarHBondContact O-N 3.2Å
563I91.3Very high89.3Confident13 Ų1334.9 Ų34.97%0.06720%0.196CC..Hα-helixtrans-66.6-40.9176.4-65.9-53.8000111.6L346 F349 I352 L382 F559 G560 S565 L566 D567L346-I563 HydrophobicContact CD2-CG2 3.95Å; F349-I563 HydrophobicContact CB-CG2 4.28Å; F349-I563 HydrophobicContact CD2-CD1 4.21Å; F349-I563 HydrophobicContact CD2-CG1 4.33Å; F349-I563 HydrophobicContact CD2-CG2 3.6Å; F349-I563 HydrophobicContact CE2-CD1 3.69Å; F349-I563 HydrophobicContact CE2-CG1 4.25Å; F349-I563 HydrophobicContact CE2-CG2 4.18Å; F349-I563 HydrophobicContact CG-CG2 4.07Å; F349-I563 HydrophobicContact CZ-CD1 3.92Å; F349-I563 HydrophobicContact CZ-CG1 4.47Å; I352-I563 HydrophobicContact CD1-CG1 4.46Å; L382-I563 HydrophobicContact CD2-CD1 3.78Å; F559-I563 HydrophobicContact CD2-CD1 4.33Å; F559-I563 HydrophobicContact CD2-CG1 3.63Å; F559-I563 HydrophobicContact CE2-CD1 3.76Å; F559-I563 HydrophobicContact CE2-CG1 3.25Å; F559-I563 HydrophobicContact CZ-CG1 4.05Å; F559-I563 WeakPolarHBondContact O-CG1 3.31Å; F559-I563 PolarHBondContact O-N 2.93Å; G560-I563 PolarHBondContact O-N 3.04Å; I563-S565 VanDerWaalsContact C-N 3.31Å; I563-S565 PolarHBondContact O-N 3.49Å; I563-L566 PolarHBondContact O-N 3.01Å; I563-D567 WeakPolarHBondContact O-CB 3.28Å; I563-D567 PolarHBondContact O-N 3.27Å
564A85.5Confident89.8Confident44 Ų4435.3 Ų35.336%0.36420%0.199SC..Hα-helixtrans-60.9-41.3175.300000111.8G560 D567 V568G560-A564 VanDerWaalsContact O-CB 3.29Å; G560-A564 WeakPolarHBondContact O-CB 3.43Å; G560-A564 PolarHBondContact O-N 2.88Å; A564-D567 PolarHBondContact O-N 3.4Å; A564-V568 WeakPolarHBondContact O-CG2 3.36Å; A564-V568 PolarHBondContact O-N 3.37Å; A564-V568 VanDerWaalsContact O-N 3.1Å
565S85.5Confident90.3Very high62 Ų6233.6 Ų33.643%0.43420%0.2SC..Hα-helixtrans-65.2-43.5176.3-56.90000111.6N561 L562 I563 L569N561-S565 WeakPolarHBondContact O-CB 3.29Å; N561-S565 PolarHBondContact O-N 2.89Å; N561-S565 PolarHBondContact O-OG 3.08Å; L562-S565 PolarHBondContact O-N 2.92Å; I563-S565 VanDerWaalsContact C-N 3.31Å; I563-S565 PolarHBondContact O-N 3.49Å; S565-L569 VanDerWaalsContact O-CG 3.3Å; S565-L569 WeakPolarHBondContact O-CG 3.41Å; S565-L569 PolarHBondContact O-N 3.18Å; S565-L569 VanDerWaalsContact O-N 3.14Å
566L90.1Very high90.5Very high1 Ų132.5 Ų32.51%0.00519%0.193CC..Hα-helixtrans-61.2-44.9175.5-178.662.1000111.6F331 I341 L346 L382 F399 L562 I563 L569 V570F331-L566 HydrophobicContact CE2-CD1 3.86Å; F331-L566 HydrophobicContact CZ-CD1 3.55Å; I341-L566 HydrophobicContact CG2-CD2 4.31Å; L346-L566 HydrophobicContact CD2-CD2 4.21Å; L346-L566 HydrophobicContact CD2-CG 4.44Å; L382-L566 HydrophobicContact CD1-CD2 3.94Å; L382-L566 HydrophobicContact CD2-CD2 3.75Å; L382-L566 HydrophobicContact CG-CD2 4.44Å; F399-L566 HydrophobicContact CD1-CB 4.18Å; F399-L566 HydrophobicContact CD1-CD1 4.19Å; F399-L566 HydrophobicContact CE1-CB 3.64Å; F399-L566 HydrophobicContact CE1-CD1 4Å; F399-L566 HydrophobicContact CE1-CG 4.37Å; F399-L566 HydrophobicContact CE2-CD1 4.41Å; F399-L566 HydrophobicContact CZ-CB 4.28Å; F399-L566 HydrophobicContact CZ-CD1 4.13Å; L562-L566 WeakPolarHBondContact O-CB 3.33Å; L562-L566 PolarHBondContact O-N 3.2Å; I563-L566 PolarHBondContact O-N 3.01Å; L566-L569 PolarHBondContact O-N 3Å; L566-V570 HydrophobicContact CD1-CG2 3.9Å; L566-V570 HydrophobicContact CG-CG2 4.24Å; L566-V570 WeakPolarHBondContact O-CB 3.36Å; L566-V570 VanDerWaalsContact O-CG2 3.23Å; L566-V570 WeakPolarHBondContact O-CG2 3.19Å; L566-V570 PolarHBondContact O-N 3.37Å
567D93.1Very high90.7Very high73 Ų7334.6 Ų34.639%0.3921%0.206SC..Hα-helixtrans-60.4-46.4-179.8-174.333.2000111.9L346 I563 A564 L569 V570 S571L346-D567 HydrophobicContact CD1-CB 4.14Å; L346-D567 HydrophobicContact CD2-CB 4.37Å; I563-D567 WeakPolarHBondContact O-CB 3.28Å; I563-D567 PolarHBondContact O-N 3.27Å; A564-D567 PolarHBondContact O-N 3.4Å; D567-L569 PolarHBondContact O-N 3.22Å; D567-V570 PolarHBondContact O-N 2.83Å; D567-S571 WeakPolarHBondContact O-CB 3.49Å; D567-S571 PolarHBondContact O-N 3.47Å
568V90.3Very high91.3Very high71 Ų7138.4 Ų38.443%0.4323%0.228SC..Hα-helixtrans-61.2-46.5176.4172.10000111.9A564 S571 F572A564-V568 WeakPolarHBondContact O-CG2 3.36Å; A564-V568 PolarHBondContact O-N 3.37Å; A564-V568 VanDerWaalsContact O-N 3.1Å; V568-S571 WeakPolarHBondContact O-CB 3.25Å; V568-S571 PolarHBondContact O-N 3.47Å; V568-F572 HydrophobicContact CG1-CD1 4.5Å; V568-F572 HydrophobicContact CG1-CE1 3.93Å; V568-F572 HydrophobicContact CG1-CE2 3.93Å; V568-F572 HydrophobicContact CG1-CZ 3.61Å; V568-F572 WeakPolarHBondContact O-CG 3.43Å; V568-F572 PolarHBondContact O-N 3.1Å
569L90.4Very high91.6Very high13 Ų1334.6 Ų34.67%0.06821%0.212CC..Hα-helixtrans-70.4-37.3-177.4-64.6171.2000112.2R324 I327 V328 F399 S565 L566 D567 S571 F572 A573R324-L569 HydrophobicContact CB-CD2 3.97Å; R324-L569 HydrophobicContact CG-CD2 4.07Å; I327-L569 HydrophobicContact CB-CD1 4.29Å; I327-L569 HydrophobicContact CD1-CD1 4.11Å; I327-L569 HydrophobicContact CG2-CB 4.16Å; I327-L569 HydrophobicContact CG2-CD1 3.76Å; V328-L569 HydrophobicContact CG2-CB 4.28Å; V328-L569 HydrophobicContact CG2-CD2 3.85Å; F399-L569 HydrophobicContact CE2-CD1 4.37Å; F399-L569 HydrophobicContact CZ-CD1 3.93Å; S565-L569 VanDerWaalsContact O-CG 3.3Å; S565-L569 WeakPolarHBondContact O-CG 3.41Å; S565-L569 PolarHBondContact O-N 3.18Å; S565-L569 VanDerWaalsContact O-N 3.14Å; L566-L569 PolarHBondContact O-N 3Å; D567-L569 PolarHBondContact O-N 3.22Å; L569-S571 VanDerWaalsContact C-N 3.33Å; L569-F572 HydrophobicContact CD2-CD2 4.33Å; L569-F572 PolarHBondContact O-N 3.34Å; L569-A573 PolarHBondContact O-N 3.25Å; L569-A573 VanDerWaalsContact O-N 3.14Å
570V94Very high91.6Very high0 Ų038.6 Ų38.60%024%0.238CC..Hα-helixtrans-65.1-40171.5171.50000110.3F331 R338 I341 H342 L346 L566 D567 F572 A573 V574F331-V570 HydrophobicContact CD1-CG2 4.17Å; F331-V570 HydrophobicContact CD2-CG2 3.93Å; F331-V570 HydrophobicContact CE1-CG2 4.08Å; F331-V570 HydrophobicContact CE2-CG2 3.8Å; F331-V570 HydrophobicContact CG-CG2 4.11Å; F331-V570 HydrophobicContact CZ-CG2 3.89Å; R338-V570 HydrophobicContact CG-CG1 4.41Å; I341-V570 HydrophobicContact CG2-CG2 3.99Å; H342-V570 HydrophobicContact CB-CG1 3.76Å; L346-V570 HydrophobicContact CD1-CB 4.28Å; L346-V570 HydrophobicContact CD1-CG1 4.31Å; L346-V570 HydrophobicContact CD1-CG2 4.47Å; L566-V570 HydrophobicContact CD1-CG2 3.9Å; L566-V570 HydrophobicContact CG-CG2 4.24Å; L566-V570 WeakPolarHBondContact O-CB 3.36Å; L566-V570 VanDerWaalsContact O-CG2 3.23Å; L566-V570 WeakPolarHBondContact O-CG2 3.19Å; L566-V570 PolarHBondContact O-N 3.37Å; D567-V570 PolarHBondContact O-N 2.83Å; V570-F572 PolarHBondContact O-N 2.89Å; V570-A573 WeakPolarHBondContact O-CB 3.44Å; V570-A573 PolarHBondContact O-N 3.37Å; V570-V574 HydrophobicContact CG1-CG2 4.33Å; V570-V574 VanDerWaalsContact O-CG2 3.31Å; V570-V574 WeakPolarHBondContact O-CG2 3.4Å; V570-V574 PolarHBondContact O-N 3.46Å
571S95Very high91.8Very high57 Ų5742.9 Ų42.940%0.39926%0.259SS..Hα-helixtrans-61.4-41.6175.7-174.20000112.1D567 V568 L569 A573 V574 A575D567-S571 WeakPolarHBondContact O-CB 3.49Å; D567-S571 PolarHBondContact O-N 3.47Å; V568-S571 WeakPolarHBondContact O-CB 3.25Å; V568-S571 PolarHBondContact O-N 3.47Å; L569-S571 VanDerWaalsContact C-N 3.33Å; S571-A573 VanDerWaalsContact C-N 3.35Å; S571-A573 PolarHBondContact O-N 2.92Å; S571-V574 PolarHBondContact O-N 2.86Å; S571-A575 WeakPolarHBondContact O-CB 3.24Å; S571-A575 PolarHBondContact O-N 3.23Å
572F94.3Very high92.6Very high44 Ų4442.6 Ų42.619%0.19326%0.262CS..Hα-helixtrans-59.6-43.6172-68.4-9.5000112.2V328 V568 L569 V570 V574 A575 A576 I655V328-F572 HydrophobicContact CG1-CB 4.14Å; V328-F572 HydrophobicContact CG2-CB 3.91Å; V328-F572 HydrophobicContact CG2-CD2 4.14Å; V568-F572 HydrophobicContact CG1-CD1 4.5Å; V568-F572 HydrophobicContact CG1-CE1 3.93Å; V568-F572 HydrophobicContact CG1-CE2 3.93Å; V568-F572 HydrophobicContact CG1-CZ 3.61Å; V568-F572 WeakPolarHBondContact O-CG 3.43Å; V568-F572 PolarHBondContact O-N 3.1Å; L569-F572 HydrophobicContact CD2-CD2 4.33Å; L569-F572 PolarHBondContact O-N 3.34Å; V570-F572 PolarHBondContact O-N 2.89Å; F572-V574 PolarHBondContact O-N 2.92Å; F572-A575 PolarHBondContact O-N 2.75Å; F572-A576 VanDerWaalsContact O-CB 3.27Å; F572-A576 WeakPolarHBondContact O-CB 3.37Å; F572-A576 PolarHBondContact O-N 2.9Å; F572-I655 HydrophobicContact CE1-CG2 4.39Å; F572-I655 HydrophobicContact CE2-CG2 3.47Å; F572-I655 VanDerWaalsContact CE2-CG2 3.47Å; F572-I655 HydrophobicContact CZ-CG2 3.34Å
573A95.8Very high93.1Very high0 Ų042.9 Ų42.90%026%0.262CS..Hα-helixtrans-65.6-37.5176.700000112.7V328 F331 V332 L569 V570 S571 V577V328-A573 HydrophobicContact CG1-CB 4.19Å; F331-A573 HydrophobicContact CB-CB 3.51Å; V332-A573 HydrophobicContact CG2-CB 3.79Å; L569-A573 PolarHBondContact O-N 3.25Å; L569-A573 VanDerWaalsContact O-N 3.14Å; V570-A573 WeakPolarHBondContact O-CB 3.44Å; V570-A573 PolarHBondContact O-N 3.37Å; S571-A573 VanDerWaalsContact C-N 3.35Å; S571-A573 PolarHBondContact O-N 2.92Å; A573-V577 WeakPolarHBondContact O-CG2 3.46Å; A573-V577 PolarHBondContact O-N 2.6Å
574V96.6Very high93.3Very high23 Ų2344.2 Ų44.214%0.13927%0.271CS..Hα-helixtrans-65-47.7175.1170.80000110.6R338 H342 V570 S571 F572 A576 V577 N578R338-V574 HydrophobicContact CG-CG2 3.89Å; H342-V574 HydrophobicContact CB-CG2 4.32Å; V570-V574 HydrophobicContact CG1-CG2 4.33Å; V570-V574 VanDerWaalsContact O-CG2 3.31Å; V570-V574 WeakPolarHBondContact O-CG2 3.4Å; V570-V574 PolarHBondContact O-N 3.46Å; S571-V574 PolarHBondContact O-N 2.86Å; F572-V574 PolarHBondContact O-N 2.92Å; V574-A576 PolarHBondContact O-N 2.9Å; V574-V577 PolarHBondContact O-N 2.95Å; V574-N578 WeakPolarHBondContact CG1-ND2 3.45Å; V574-N578 VanDerWaalsContact O-CB 3.29Å; V574-N578 WeakPolarHBondContact O-CB 2.96Å; V574-N578 PolarHBondContact O-N 3.1Å; V574-N578 PolarHBondContact O-ND2 3.46Å
575A94.9Very high93.8Very high50 Ų5047.2 Ų47.241%0.41328%0.276SS..Hα-helixtrans-60.5-44.3177.200000111.7S571 F572 V577 N578 A579S571-A575 WeakPolarHBondContact O-CB 3.24Å; S571-A575 PolarHBondContact O-N 3.23Å; F572-A575 PolarHBondContact O-N 2.75Å; A575-V577 VanDerWaalsContact C-N 3.34Å; A575-V577 PolarHBondContact O-N 3.07Å; A575-N578 PolarHBondContact O-N 3.16Å; A575-A579 PolarHBondContact O-N 3.39Å
576A96.3Very high94.2Very high1 Ų144.5 Ų44.51%0.00826%0.256CS..Hα-helixtrans-60.8-39.2179.400000113.4V332 F572 V574 P582 Y583 F658V332-A576 HydrophobicContact CG2-CB 4.15Å; F572-A576 VanDerWaalsContact O-CB 3.27Å; F572-A576 WeakPolarHBondContact O-CB 3.37Å; F572-A576 PolarHBondContact O-N 2.9Å; V574-A576 PolarHBondContact O-N 2.9Å; A576-P582 CarbonylContact O-C 3.42Å; A576-P582 VanDerWaalsContact O-CA 3.25Å; A576-P582 WeakPolarHBondContact O-CA 3.31Å; A576-Y583 HydrophobicContact CB-CD2 4.32Å; A576-Y583 HydrophobicContact CB-CG 4.43Å; A576-Y583 PolarHBondContact O-N 3.23Å; A576-F658 HydrophobicContact CB-CB 3.87Å; A576-F658 HydrophobicContact CB-CD2 4.35Å; A576-F658 HydrophobicContact CB-CG 4.35Å
577V96.1Very high94.4Very high45 Ų4548.7 Ų48.727%0.27328%0.279SS..Hα-helixtrans-84.8-31.9-177.8177.20000112.7V332 A573 V574 A575V332-V577 HydrophobicContact CB-CG2 4.32Å; V332-V577 HydrophobicContact CG1-CG2 3.86Å; V332-V577 HydrophobicContact CG2-CG2 4.21Å; A573-V577 WeakPolarHBondContact O-CG2 3.46Å; A573-V577 PolarHBondContact O-N 2.6Å; V574-V577 PolarHBondContact O-N 2.95Å; A575-V577 VanDerWaalsContact C-N 3.34Å; A575-V577 PolarHBondContact O-N 3.07Å
578N94.5Very high94.1Very high119 Ų11946.1 Ų46.164%0.63627%0.265SS*.Hα-helixtrans-87.1-5.9-176.7-69.7-15.8000113.9V574 A575V574-N578 WeakPolarHBondContact CG1-ND2 3.45Å; V574-N578 VanDerWaalsContact O-CB 3.29Å; V574-N578 WeakPolarHBondContact O-CB 2.96Å; V574-N578 PolarHBondContact O-N 3.1Å; V574-N578 PolarHBondContact O-ND2 3.46Å; A575-N578 PolarHBondContact O-N 3.16Å
579A93.3Very high94Very high10 Ų1044.4 Ų44.48%0.08325%0.253CS..SBendtrans-60.2154.2173.200000111.8A575 I581 Y583A575-A579 PolarHBondContact O-N 3.39Å; A579-I581 PolarHBondContact O-N 2.79Å; A579-I581 VanDerWaalsContact O-N 3.14Å; A579-Y583 HydrophobicContact CB-CD1 3.7Å; A579-Y583 HydrophobicContact CB-CE1 3.23Å; A579-Y583 HydrophobicContact CB-CE2 4.48Å; A579-Y583 HydrophobicContact CB-CG 4.49Å
580P91.5Very high93.6Very high83 Ų8349.8 Ų49.854%0.53928%0.282SS..SBendtrans-53.8-38.1-178.9-25.933.6000113.1E607 L608P580-E607 HydrophobicContact CG-CG 4.32Å; P580-E607 WeakPolarHBondContact CG-O 3.49Å; P580-L608 HydrophobicContact CG-CD2 4.09Å
581I93.2Very high92.8Very high92 Ų9255.1 Ų55.147%0.47231%0.305SS..SBendtrans-123.5124.3165.5-59.5168.6000106.2A579 R602A579-I581 PolarHBondContact O-N 2.79Å; A579-I581 VanDerWaalsContact O-N 3.14Å; I581-R602 VanDerWaalsContact CG2-NH1 3.34Å; I581-R602 PolarHBondContact O-NH2 2.95Å
582P95Very high92.2Very high77 Ų7754.8 Ų54.850%0.531%0.311SS..  trans-52.8142.5-177.8-29.335.3000113.2A576A576-P582 CarbonylContact O-C 3.42Å; A576-P582 VanDerWaalsContact O-CA 3.25Å; A576-P582 WeakPolarHBondContact O-CA 3.31Å
583Y97.3Very high91.8Very high22 Ų2256.2 Ų56.29%0.08633%0.325CS..  trans-75.1157.3178.2-64.3-5.3000110.9A576 A579 P604 E607 M652 F658 V659 P660A576-Y583 HydrophobicContact CB-CD2 4.32Å; A576-Y583 HydrophobicContact CB-CG 4.43Å; A576-Y583 PolarHBondContact O-N 3.23Å; A579-Y583 HydrophobicContact CB-CD1 3.7Å; A579-Y583 HydrophobicContact CB-CE1 3.23Å; A579-Y583 HydrophobicContact CB-CE2 4.48Å; A579-Y583 HydrophobicContact CB-CG 4.49Å; Y583-P604 WeakPolarHBondContact OH-CB 3.42Å; Y583-E607 WeakPolarHBondContact CE1-OE1 3.23Å; Y583-E607 VanDerWaalsContact CZ-OE1 3.25Å; Y583-E607 PolarHBondContact OH-OE1 3.5Å; Y583-M652 HydrophobicContact CD2-CE 3.99Å; Y583-M652 HydrophobicContact CE2-CE 3.72Å; Y583-F658 WeakPolarHBondContact CD2-O 3.31Å; Y583-V659 WeakPolarHBondContact CA-O 3.45Å; Y583-V659 WeakPolarHBondContact CB-O 3.38Å; Y583-P660 HydrophobicContact CD1-CB 3.87Å; Y583-P660 HydrophobicContact CE1-CB 3.54Å
584V96.6Very high91.5Very high41 Ų4156.4 Ų56.425%0.24833%0.328CS..BIsolated β-bridgetrans-113.1149.2-177.7-61.30000111P586 F658 V659 A661V584-P586 VanDerWaalsContact O-CD 3.29Å; V584-P586 WeakPolarHBondContact O-CD 2.8Å; V584-F658 CarbonylContact O-C 3.55Å; V584-F658 WeakPolarHBondContact O-CA 3.47Å; V584-F658 WeakPolarHBondContact O-CB 3.34Å; V584-V659 HydrophobicContact CG2-CG2 4.12Å; V584-V659 PolarHBondContact N-O 3.02Å; V584-V659 PolarHBondContact O-N 3.15Å; V584-A661 VanDerWaalsContact CG1-O 3.28Å; V584-A661 WeakPolarHBondContact CG1-O 3.07Å; V584-A661 HydrophobicContact CG2-CB 4.26Å; V584-A661 WeakPolarHBondContact CG2-O 3.13Å
585K95.5Very high91.4Very high108 Ų10858.9 Ų58.947%0.4734%0.338SS..  trans-66.2117.9172.5-168.8-179.5-176.9-177.60108.9L325 F658L325-K585 HydrophobicContact CB-CG 4.46Å; L325-K585 HydrophobicContact CD2-CG 4.46Å; K585-F658 HydrophobicContact CB-CD1 4.18Å; K585-F658 HydrophobicContact CB-CD2 4.43Å; K585-F658 HydrophobicContact CB-CE1 3.73Å; K585-F658 HydrophobicContact CB-CE2 4Å; K585-F658 HydrophobicContact CB-CZ 3.61Å; K585-F658 HydrophobicContact CD-CE1 4.34Å; K585-F658 HydrophobicContact CD-CZ 4.37Å; K585-F658 HydrophobicContact CG-CD1 4.36Å; K585-F658 HydrophobicContact CG-CE1 3.76Å; K585-F658 HydrophobicContact CG-CZ 4.02Å
586P94.6Very high91.4Very high5 Ų556.5 Ų56.53%0.03232%0.318CS..  trans-71151.3172.830.7-35000110.8L325 V584 I588 A653 V659 A664L325-P586 HydrophobicContact CD1-CG 4Å; L325-P586 HydrophobicContact CD2-CG 3.97Å; V584-P586 VanDerWaalsContact O-CD 3.29Å; V584-P586 WeakPolarHBondContact O-CD 2.8Å; P586-I588 HydrophobicContact CB-CD1 4.29Å; P586-I588 HydrophobicContact CG-CD1 4.13Å; P586-A653 HydrophobicContact CB-CB 3.94Å; P586-A653 HydrophobicContact CG-CB 3.82Å; P586-V659 HydrophobicContact CB-CG1 4.33Å; P586-V659 HydrophobicContact CB-CG2 4.02Å; P586-V659 HydrophobicContact CG-CG1 4.08Å; P586-V659 HydrophobicContact CG-CG2 4.38Å; P586-A664 CarbonylContact C-O 3.42Å; P586-A664 WeakPolarHBondContact CA-O 3.38Å; P586-A664 HydrophobicContact CB-CB 4.09Å
587N93Very high91.5Very high88 Ų8857.3 Ų57.347%0.47132%0.322SS..EExtended strand (participates in β ladder)trans-89.8109.4167.1-175.247.3000108.7L589 A664 S665 V666N587-L589 WeakPolarHBondContact ND2-CD2 3.32Å; N587-A664 PolarHBondContact N-O 2.92Å; N587-S665 CarbonylContact O-C 3.49Å; N587-S665 VanDerWaalsContact O-CA 3.26Å; N587-S665 WeakPolarHBondContact O-CA 2.94Å; N587-V666 PolarHBondContact O-N 2.75Å
588I87.9Confident91.6Very high19 Ų1955.2 Ų55.210%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-83.3128.9178.6-52.6-60000108.7D322 L325 P586 A653 V666 L668D322-I588 WeakPolarHBondContact OD1-CB 3.12Å; L325-I588 HydrophobicContact CD1-CD1 4.13Å; L325-I588 HydrophobicContact CD1-CG1 3.56Å; P586-I588 HydrophobicContact CB-CD1 4.29Å; P586-I588 HydrophobicContact CG-CD1 4.13Å; I588-A653 HydrophobicContact CD1-CB 3.78Å; I588-V666 WeakPolarHBondContact CA-O 3.33Å; I588-L668 HydrophobicContact CG2-CD2 3.66Å; I588-L668 HydrophobicContact CG2-CG 4.06Å
589L89Confident91.7Very high35 Ų3551.5 Ų51.518%0.18329%0.291CS..EExtended strand (participates in β ladder)trans-106.9146.7176.7-52.4171.2000109.3N587 C593 E595 V666 S667 L668N587-L589 WeakPolarHBondContact ND2-CD2 3.32Å; L589-C593 HydrophobicContact CB-CB 3.9Å; L589-E595 HydrophobicContact CD1-CB 3.91Å; L589-E595 HydrophobicContact CD1-CG 4.43Å; L589-V666 PolarHBondContact N-O 3.38Å; L589-S667 WeakPolarHBondContact O-CA 3.37Å; L589-L668 PolarHBondContact O-N 2.92Å
590D80.4Confident91.9Very high127 Ų12753.6 Ų53.668%0.67930%0.301SS*.  trans-57.6151.4178.6-73.8-37.3000112G592 C593D590-G592 PolarHBondContact O-N 3.5Å; D590-C593 VanDerWaalsContact O-CB 3.31Å; D590-C593 WeakPolarHBondContact O-CB 3.28Å; D590-C593 PolarHBondContact O-N 2.87Å; D590-C593 VanDerWaalsContact O-N 3.07Å; D590-C593 PolarHBondContact O-SG 3.41Å
591K77.8Confident92.2Very high111 Ų11149.7 Ų49.748%0.48328%0.275SS..THydrogen-bonded Turntrans-56.7131.2174.6-175.3175.3177.6175.20110L668 D670 D706K591-L668 HydrophobicContact CB-CB 4.04Å; K591-D670 VanDerWaalsContact NZ-CB 3.32Å; K591-D670 IonicContact NZ-OD2 3.91Å; K591-D706 WeakPolarHBondContact CE-OD2 3.39Å; K591-D706 HydrophobicContact CG-CB 4.39Å; K591-D706 IonicContact NZ-OD2 3.75Å
592G81.9Confident92.3Very high51 Ų5146 Ų4653%0.52626%0.256SS..THydrogen-bonded Turntrans91.6-8.8-177.200000115.1D590 G594D590-G592 PolarHBondContact O-N 3.5Å; G592-G594 PolarHBondContact O-N 2.84Å
593C85.9Confident92.2Very high73 Ų7343.7 Ų43.749%0.49324%0.238SC..SBendtrans-58.1-32.9170.1-70.60000111.9L589 D590L589-C593 HydrophobicContact CB-CB 3.9Å; D590-C593 VanDerWaalsContact O-CB 3.31Å; D590-C593 WeakPolarHBondContact O-CB 3.28Å; D590-C593 PolarHBondContact O-N 2.87Å; D590-C593 VanDerWaalsContact O-N 3.07Å; D590-C593 PolarHBondContact O-SG 3.41Å
594G89.7Confident91.9Very high5 Ų543.1 Ų43.15%0.05224%0.237CC..  trans74.439.4169.100000114.1G592 S622 K623 S667 F741G592-G594 PolarHBondContact O-N 2.84Å; G594-S622 CarbonylContact O-C 3.58Å; G594-S622 VanDerWaalsContact O-CA 3.26Å; G594-S622 WeakPolarHBondContact O-CA 3.5Å; G594-K623 VanDerWaalsContact CA-CG 3.42Å; G594-K623 PolarHBondContact O-N 3.08Å; G594-S667 PolarHBondContact N-OG 3.4Å; G594-F741 VanDerWaalsContact C-CZ 3.48Å; G594-F741 WeakPolarHBondContact O-CZ 3.34Å
595E94.2Very high91.6Very high74 Ų7445.2 Ų45.235%0.34625%0.252SS..EExtended strand (participates in β ladder)trans-137.7132.8177.1-173-176.4161.200112.4L589 L621 S667L589-E595 HydrophobicContact CD1-CB 3.91Å; L589-E595 HydrophobicContact CD1-CG 4.43Å; E595-L621 CarbonylContact C-O 3.58Å; E595-L621 WeakPolarHBondContact CA-O 3.39Å; E595-S667 PolarHBondContact N-OG 3.28Å; E595-S667 VanDerWaalsContact O-CB 3.26Å; E595-S667 WeakPolarHBondContact O-CB 3.47Å; E595-S667 PolarHBondContact O-N 2.86Å; E595-S667 PolarHBondContact O-OG 3.46Å
596I96.6Very high91.2Very high0 Ų042.1 Ų42.10%024%0.241CC..EExtended strand (participates in β ladder)trans-129.3104.9165.7-58.3175.8000107I598 L619 R620 L621 V650 S665 V669 F741I596-I598 HydrophobicContact CG2-CD1 4.13Å; I596-I598 HydrophobicContact CG2-CG1 4.24Å; I596-L619 HydrophobicContact CG2-CD2 4.32Å; I596-R620 CarbonylContact O-C 3.54Å; I596-R620 WeakPolarHBondContact O-CA 3.35Å; I596-L621 HydrophobicContact CB-CB 4.3Å; I596-L621 PolarHBondContact N-O 3.3Å; I596-L621 PolarHBondContact O-N 2.99Å; I596-V650 HydrophobicContact CD1-CG2 4.33Å; I596-V650 HydrophobicContact CG2-CG2 4.23Å; I596-S665 CarbonylContact C-O 3.39Å; I596-S665 WeakPolarHBondContact CA-O 3.37Å; I596-V669 HydrophobicContact CD1-CG1 4.05Å; I596-F741 HydrophobicContact CD1-CD2 3.68Å; I596-F741 HydrophobicContact CD1-CE2 4.04Å; I596-F741 HydrophobicContact CD1-CG 4.27Å; I596-F741 HydrophobicContact CG1-CD2 4.26Å; I596-F741 HydrophobicContact CG1-CE2 4.11Å
597D97.4Very high91Very high18 Ų1842.8 Ų42.810%0.09624%0.244CC..EExtended strand (participates in β ladder)trans-119.8110176.9-171.1-22.7000109.5L619 R620 A664 S665D597-L619 CarbonylContact C-O 3.58Å; D597-L619 WeakPolarHBondContact CA-O 3.3Å; D597-R620 IonicContact OD2-CZ 3Å; D597-R620 IonicContact OD2-NE 2.78Å; D597-R620 PolarHBondContact OD2-NE 3.32Å; D597-R620 VanDerWaalsContact OD2-NE 3.11Å; D597-R620 IonicContact OD2-NH2 3.15Å; D597-R620 PolarHBondContact OD2-NH2 3.04Å; D597-A664 CarbonylContact O-C 3.54Å; D597-A664 VanDerWaalsContact O-CA 3.26Å; D597-A664 WeakPolarHBondContact O-CA 3.47Å; D597-S665 PolarHBondContact N-O 2.88Å; D597-S665 PolarHBondContact O-N 3.48Å
598I97.9Very high90.8Very high2 Ų244 Ų441%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-117.1112.3177.3-56.8167.8000107.1I596 S618 L619 I649 A661I596-I598 HydrophobicContact CG2-CD1 4.13Å; I596-I598 HydrophobicContact CG2-CG1 4.24Å; I598-S618 CarbonylContact O-C 3.54Å; I598-S618 WeakPolarHBondContact O-CA 3.36Å; I598-S618 WeakPolarHBondContact O-CB 3.46Å; I598-L619 HydrophobicContact CB-CB 4.31Å; I598-L619 HydrophobicContact CD1-CD2 4.22Å; I598-L619 PolarHBondContact N-O 2.89Å; I598-L619 PolarHBondContact O-N 3.17Å; I598-I649 HydrophobicContact CD1-CB 3.99Å; I598-I649 HydrophobicContact CD1-CD1 4.34Å; I598-I649 HydrophobicContact CD1-CG2 3.55Å; I598-I649 HydrophobicContact CG1-CG2 4.04Å; I598-I649 HydrophobicContact CG2-CD1 3.9Å; I598-I649 HydrophobicContact CG2-CG2 4.37Å; I598-A661 HydrophobicContact CG2-CB 3.9Å
599T97.7Very high90.6Very high40 Ų4048.4 Ų48.425%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-94127.9175.7-51.70000110.3G601 K662 K663T599-G601 VanDerWaalsContact C-N 3.28Å; T599-G601 PolarHBondContact O-N 2.87Å; T599-K662 HydrophobicContact CG2-CB 4.48Å; T599-K662 HydrophobicContact CG2-CD 4.39Å; T599-K662 WeakPolarHBondContact O-CB 3.34Å; T599-K662 PolarHBondContact O-N 2.83Å; T599-K663 PolarHBondContact N-O 2.64Å; T599-K663 PolarHBondContact O-N 2.96Å
600D96.9Very high90.2Very high55 Ų5550.7 Ų50.729%0.29429%0.294SS..EExtended strand (participates in β ladder)trans49.945.6179.4-63-21.3000112.9P616 S618 K662D600-P616 HydrophobicContact CB-CB 3.83Å; D600-S618 PolarHBondContact N-OG 2.77Å; D600-K662 HydrophobicContact CB-CB 3.84Å; D600-K662 VanDerWaalsContact OD2-CD 3.32Å; D600-K662 WeakPolarHBondContact OD2-CD 3.35Å
601G97.1Very high90.2Very high0 Ų053 Ų530%031%0.306CS..EExtended strand (participates in β ladder)trans-65.6148.9177.300000111.9T599 P616 N617 Q645 P660T599-G601 VanDerWaalsContact C-N 3.28Å; T599-G601 PolarHBondContact O-N 2.87Å; G601-P616 CarbonylContact O-C 3.53Å; G601-P616 VanDerWaalsContact O-CA 3.29Å; G601-P616 WeakPolarHBondContact O-CA 3.07Å; G601-N617 WeakPolarHBondContact CA-O 3.49Å; G601-N617 PolarHBondContact N-O 2.94Å; G601-N617 PolarHBondContact O-N 3.28Å; G601-Q645 PolarHBondContact O-NE2 2.99Å; G601-P660 CarbonylContact C-O 3.57Å; G601-P660 WeakPolarHBondContact CA-O 3.34Å
602R95.5Very high90.4Very high16 Ų1650.6 Ų50.66%0.0630%0.3CS..  trans-132.3151.9178.3-52.7175.2-60.3-101.8-2.4110I581 P604 E607 P616 Q645 P660I581-R602 VanDerWaalsContact CG2-NH1 3.34Å; I581-R602 PolarHBondContact O-NH2 2.95Å; R602-P604 WeakPolarHBondContact O-CD 3.26Å; R602-E607 IonicContact CZ-OE2 3.46Å; R602-E607 IonicContact NE-OE2 3.39Å; R602-E607 PolarHBondContact NE-OE2 3.27Å; R602-E607 IonicContact NH2-OE2 3.83Å; R602-P616 HydrophobicContact CG-CB 4.05Å; R602-Q645 VanDerWaalsContact C-CD 3.43Å; R602-Q645 VanDerWaalsContact C-OE1 3.28Å; R602-P660 HydrophobicContact CB-CB 4.31Å; R602-P660 PolarHBondContact N-O 2.87Å; R602-P660 WeakPolarHBondContact O-CG 3.11Å
603H92.7Very high90.5Very high27 Ų2752.8 Ų52.813%0.12531%0.308CS..  trans-81116.3175.9-172.1-61000109.9C605 L606 E607 T641 Q645H603-C605 VanDerWaalsContact C-N 3.3Å; H603-C605 PolarHBondContact ND1-N 2.81Å; H603-C605 PolarHBondContact O-N 2.8Å; H603-L606 HydrophobicContact CB-CB 3.86Å; H603-L606 PolarHBondContact ND1-N 3.32Å; H603-L606 PolarHBondContact O-N 3.47Å; H603-E607 PolarHBondContact O-N 3.43Å; H603-T641 HydrophobicContact CB-CG2 4.44Å; H603-Q645 HydrophobicContact CB-CB 4.13Å; H603-Q645 HydrophobicContact CB-CG 4.31Å; H603-Q645 VanDerWaalsContact N-OE1 3.12Å
604P91.8Very high90.6Very high11 Ų1150.7 Ų50.77%0.07129%0.294CS..THydrogen-bonded Turntrans-63.9-31.9-166.923.1-32.1000113.7Y583 R602 E607 V648 M652 P660Y583-P604 WeakPolarHBondContact OH-CB 3.42Å; R602-P604 WeakPolarHBondContact O-CD 3.26Å; P604-E607 WeakPolarHBondContact CA-OE1 3.43Å; P604-E607 WeakPolarHBondContact O-CG 3.21Å; P604-V648 HydrophobicContact CG-CB 4.49Å; P604-V648 HydrophobicContact CG-CG1 3.5Å; P604-V648 VanDerWaalsContact CG-CG1 3.5Å; P604-M652 HydrophobicContact CB-SD 4.22Å; P604-M652 HydrophobicContact CG-SD 3.82Å; P604-P660 HydrophobicContact CB-CB 4.49Å; P604-P660 HydrophobicContact CB-CG 4.01Å; P604-P660 HydrophobicContact CG-CG 4.2Å
605C89.4Confident90.7Very high84 Ų8453.1 Ų53.157%0.56831%0.305SS*.THydrogen-bonded Turntrans-80.6-29175.7-49.80000113.4H603H603-C605 VanDerWaalsContact C-N 3.3Å; H603-C605 PolarHBondContact ND1-N 2.81Å; H603-C605 PolarHBondContact O-N 2.8Å
606L87.3Confident90.8Very high43 Ų4352.4 Ų52.423%0.22531%0.307CS..THydrogen-bonded Turntrans-80-37.1-175-172.864.1000110.6H603 L608 Q609 V612 T641H603-L606 HydrophobicContact CB-CB 3.86Å; H603-L606 PolarHBondContact ND1-N 3.32Å; H603-L606 PolarHBondContact O-N 3.47Å; L606-L608 PolarHBondContact O-N 3.16Å; L606-Q609 PolarHBondContact O-N 3.26Å; L606-Q609 VanDerWaalsContact O-N 3.14Å; L606-V612 HydrophobicContact CD1-CG1 3.88Å; L606-V612 HydrophobicContact CG-CG1 3.97Å; L606-T641 HydrophobicContact CD2-CG2 3.71Å
607E91.1Very high90.8Very high20 Ų2053.1 Ų53.19%0.09331%0.31CS..THydrogen-bonded Turntrans-64.3-19.1176.772.2-177.5163.200113.3P580 Y583 R602 H603 P604 C614P580-E607 HydrophobicContact CG-CG 4.32Å; P580-E607 WeakPolarHBondContact CG-O 3.49Å; Y583-E607 WeakPolarHBondContact CE1-OE1 3.23Å; Y583-E607 VanDerWaalsContact CZ-OE1 3.25Å; Y583-E607 PolarHBondContact OH-OE1 3.5Å; R602-E607 IonicContact CZ-OE2 3.46Å; R602-E607 IonicContact NE-OE2 3.39Å; R602-E607 PolarHBondContact NE-OE2 3.27Å; R602-E607 IonicContact NH2-OE2 3.83Å; H603-E607 PolarHBondContact O-N 3.43Å; P604-E607 WeakPolarHBondContact CA-OE1 3.43Å; P604-E607 WeakPolarHBondContact O-CG 3.21Å; E607-C614 HydrophobicContact CB-CB 3.98Å
608L88.4Confident90.8Very high113 Ų11355 Ų5559%0.59233%0.325SS*.THydrogen-bonded Turntrans-90.2-8.9177.1-68.5174.3000113.6P580 L606P580-L608 HydrophobicContact CG-CD2 4.09Å; L606-L608 PolarHBondContact O-N 3.16Å
609Q84.4Confident90.8Very high111 Ų11155.2 Ų55.252%0.51933%0.326SS..SBendtrans-71.3133.1178-69.3-168.7-17.800110.5L606 V612L606-Q609 PolarHBondContact O-N 3.26Å; L606-Q609 VanDerWaalsContact O-N 3.14Å; Q609-V612 HydrophobicContact CB-CB 4.12Å; Q609-V612 HydrophobicContact CB-CG2 3.89Å; Q609-V612 PolarHBondContact O-N 3.21Å
610A80.4Confident90.8Very high84 Ų8460.5 Ų60.569%0.69434%0.342SS*.THydrogen-bonded Turntrans-58.9143170.200000109.7V612A610-V612 PolarHBondContact O-N 3.16Å; A610-V612 VanDerWaalsContact O-N 3.16Å
611D80.4Confident90.8Very high175 Ų17557.9 Ų57.994%0.93633%0.328SS*.THydrogen-bonded Turntrans64.312176.5-49.4-44.5000116.3
612V80.8Confident90.7Very high60 Ų6059 Ų5936%0.36434%0.335SS..  trans-112125.9175-177.90000110.7L606 Q609 A610L606-V612 HydrophobicContact CD1-CG1 3.88Å; L606-V612 HydrophobicContact CG-CG1 3.97Å; Q609-V612 HydrophobicContact CB-CB 4.12Å; Q609-V612 HydrophobicContact CB-CG2 3.89Å; Q609-V612 PolarHBondContact O-N 3.21Å; A610-V612 PolarHBondContact O-N 3.16Å; A610-V612 VanDerWaalsContact O-N 3.16Å
613S84.2Confident90.7Very high98 Ų9861.2 Ų61.269%0.68535%0.345SS*.  trans-95.7108.2169.953.20000110.2I615S613-I615 PolarHBondContact O-N 3.07Å
614C88Confident90.6Very high29 Ų2963 Ų6320%0.19637%0.371CS..  trans-79.6113177.6-1710000110.1E607E607-C614 HydrophobicContact CB-CB 3.98Å
615I93.1Very high90.7Very high56 Ų5666.5 Ų66.529%0.28739%0.389SS..  trans-80.8122.7176.4-55.9-56.4000109.2S613 N617 Y779 Q780S613-I615 PolarHBondContact O-N 3.07Å; I615-N617 PolarHBondContact O-ND2 2.8Å; I615-N617 VanDerWaalsContact O-ND2 3.12Å; I615-Y779 HydrophobicContact CG1-CD2 4.38Å; I615-Q780 HydrophobicContact CG2-CG 3.94Å
616P95.9Very high91.1Very high58 Ų5863.1 Ų63.138%0.37737%0.366SS..  trans-69.4141.4-179.727.5-33.4000111.4D600 G601 R602D600-P616 HydrophobicContact CB-CB 3.83Å; G601-P616 CarbonylContact O-C 3.53Å; G601-P616 VanDerWaalsContact O-CA 3.29Å; G601-P616 WeakPolarHBondContact O-CA 3.07Å; R602-P616 HydrophobicContact CG-CB 4.05Å
617N96.9Very high91.5Very high15 Ų1561.7 Ų61.78%0.0836%0.358CS..EExtended strand (participates in β ladder)trans-134.3138.5178.4-74.4-73.3000110.9G601 I615 Y642 Y779 Q780 V781G601-N617 WeakPolarHBondContact CA-O 3.49Å; G601-N617 PolarHBondContact N-O 2.94Å; G601-N617 PolarHBondContact O-N 3.28Å; I615-N617 PolarHBondContact O-ND2 2.8Å; I615-N617 VanDerWaalsContact O-ND2 3.12Å; N617-Y642 HydrophobicContact CB-CD2 3.83Å; N617-Y642 HydrophobicContact CB-CE2 3.76Å; N617-Y779 PolarHBondContact ND2-O 3.47Å; N617-Y779 PolarHBondContact OD1-O 2.92Å; N617-Q780 WeakPolarHBondContact OD1-CA 3.49Å; N617-V781 HydrophobicContact CB-CB 4.5Å; N617-V781 HydrophobicContact CB-CG2 4.27Å; N617-V781 PolarHBondContact OD1-N 3.49Å
618S97.2Very high91.8Very high57 Ų5760.7 Ų60.740%0.39935%0.354SS..EExtended strand (participates in β ladder)trans-88.7152.4177.3-60.60000111.3I598 D600 Y642I598-S618 CarbonylContact O-C 3.54Å; I598-S618 WeakPolarHBondContact O-CA 3.36Å; I598-S618 WeakPolarHBondContact O-CB 3.46Å; D600-S618 PolarHBondContact N-OG 2.77Å; S618-Y642 PolarHBondContact O-OH 3.19Å
619L97.5Very high92.3Very high7 Ų755.4 Ų55.44%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-133.9130.7173.7172.964.3000108.5I596 D597 I598 L621 I629 Y642 A646 L743I596-L619 HydrophobicContact CG2-CD2 4.32Å; D597-L619 CarbonylContact C-O 3.58Å; D597-L619 WeakPolarHBondContact CA-O 3.3Å; I598-L619 HydrophobicContact CB-CB 4.31Å; I598-L619 HydrophobicContact CD1-CD2 4.22Å; I598-L619 PolarHBondContact N-O 2.89Å; I598-L619 PolarHBondContact O-N 3.17Å; L619-L621 HydrophobicContact CD1-CD1 4.2Å; L619-L621 HydrophobicContact CD1-CD2 4.17Å; L619-L621 HydrophobicContact CD1-CG 3.87Å; L619-L621 HydrophobicContact CD2-CD1 4.25Å; L619-L621 HydrophobicContact CG-CD1 4.47Å; L619-L621 HydrophobicContact CG-CG 4.24Å; L619-I629 HydrophobicContact CD1-CD1 3.67Å; L619-Y642 WeakPolarHBondContact CA-OH 3.5Å; L619-Y642 HydrophobicContact CD1-CE1 4.44Å; L619-Y642 WeakPolarHBondContact CD1-OH 3.42Å; L619-A646 HydrophobicContact CD2-CB 3.57Å; L619-L743 HydrophobicContact CD1-CD2 3.81Å; L619-L743 HydrophobicContact CD2-CD1 4.3Å
620R97.2Very high92.9Very high152 Ų15250.1 Ų50.157%0.57430%0.301SS*.EExtended strand (participates in β ladder)trans-131.5118.5170.3179.8175-79.1-180-6.7109.3I596 D597I596-R620 CarbonylContact O-C 3.54Å; I596-R620 WeakPolarHBondContact O-CA 3.35Å; D597-R620 IonicContact OD2-CZ 3Å; D597-R620 IonicContact OD2-NE 2.78Å; D597-R620 PolarHBondContact OD2-NE 3.32Å; D597-R620 VanDerWaalsContact OD2-NE 3.11Å; D597-R620 IonicContact OD2-NH2 3.15Å; D597-R620 PolarHBondContact OD2-NH2 3.04Å
621L97.2Very high93.6Very high0 Ų046.1 Ų46.10%027%0.268CS..EExtended strand (participates in β ladder)trans-124.4133.8171.1-57.7172.2000108.6E595 I596 L619 T626 I629 L708 F741 L743E595-L621 CarbonylContact C-O 3.58Å; E595-L621 WeakPolarHBondContact CA-O 3.39Å; I596-L621 HydrophobicContact CB-CB 4.3Å; I596-L621 PolarHBondContact N-O 3.3Å; I596-L621 PolarHBondContact O-N 2.99Å; L619-L621 HydrophobicContact CD1-CD1 4.2Å; L619-L621 HydrophobicContact CD1-CD2 4.17Å; L619-L621 HydrophobicContact CD1-CG 3.87Å; L619-L621 HydrophobicContact CD2-CD1 4.25Å; L619-L621 HydrophobicContact CG-CD1 4.47Å; L619-L621 HydrophobicContact CG-CG 4.24Å; L621-T626 CarbonylContact C-O 3.59Å; L621-T626 WeakPolarHBondContact CA-O 3.04Å; L621-T626 HydrophobicContact CD2-CG2 4.21Å; L621-I629 HydrophobicContact CD2-CD1 3.8Å; L621-I629 HydrophobicContact CD2-CG1 3.89Å; L621-L708 HydrophobicContact CD1-CD1 4.23Å; L621-F741 HydrophobicContact CB-CD1 3.63Å; L621-F741 HydrophobicContact CB-CE1 3.84Å; L621-F741 HydrophobicContact CB-CG 4.3Å; L621-F741 HydrophobicContact CD1-CB 4Å; L621-F741 HydrophobicContact CD1-CD1 4.27Å; L621-F741 HydrophobicContact CD1-CG 4.25Å; L621-F741 HydrophobicContact CG-CD1 4.48Å; L621-L743 HydrophobicContact CD1-CD2 4.16Å; L621-L743 HydrophobicContact CD2-CD2 4.22Å
622S96.5Very high94.2Very high23 Ų2337.9 Ų37.916%0.16122%0.224CC..EExtended strand (participates in β ladder)trans-147.1134.5-175.446.70000110.2G594 G624 D625 T626G594-S622 CarbonylContact O-C 3.58Å; G594-S622 VanDerWaalsContact O-CA 3.26Å; G594-S622 WeakPolarHBondContact O-CA 3.5Å; S622-G624 PolarHBondContact O-N 3.13Å; S622-D625 PolarHBondContact O-N 3.31Å; S622-D625 WeakPolarHBondContact OG-CB 3.16Å; S622-D625 PolarHBondContact OG-OD2 2.72Å; S622-T626 PolarHBondContact N-O 2.64Å; S622-T626 CarbonylContact O-C 3.58Å; S622-T626 VanDerWaalsContact O-C 3.29Å; S622-T626 PolarHBondContact O-N 2.9Å; S622-T626 PolarHBondContact OG-N 2.68Å
623K94Very high94.4Very high63 Ų6335.8 Ų35.827%0.27422%0.215SC..THydrogen-bonded Turntrans-62.2133.8175.3-67.3-61.6-178.7-156.80110.6G594 D625 E627 C705 H739 F741G594-K623 VanDerWaalsContact CA-CG 3.42Å; G594-K623 PolarHBondContact O-N 3.08Å; K623-D625 VanDerWaalsContact C-N 3.28Å; K623-D625 PolarHBondContact O-N 3.02Å; K623-E627 WeakPolarHBondContact CA-OE1 3.41Å; K623-E627 HydrophobicContact CD-CG 4.19Å; K623-E627 WeakPolarHBondContact CD-OE1 3.25Å; K623-C705 VanDerWaalsContact CE-O 3.27Å; K623-C705 WeakPolarHBondContact CE-O 3.23Å; K623-C705 PolarHBondContact NZ-O 3.34Å; K623-H739 PolarHBondContact NZ-O 3.23Å; K623-F741 HydrophobicContact CD-CE1 4.07Å; K623-F741 HydrophobicContact CD-CZ 4.15Å; K623-F741 HydrophobicContact CG-CE1 4.32Å; K623-F741 HydrophobicContact CG-CZ 4.1Å
624G91.2Very high94.4Very high65 Ų6531.5 Ų31.567%0.6719%0.185SC*.THydrogen-bonded Turntrans75.41.3-17800000116.5S622 E627S622-G624 PolarHBondContact O-N 3.13Å; G624-E627 PolarHBondContact N-OE1 2.92Å
625D94.5Very high94Very high83 Ų8334.5 Ų34.544%0.44420%0.199SC..THydrogen-bonded Turntrans-130.8-66.2176.2169.633.4000112.1S622 K623 V760 K762S622-D625 PolarHBondContact O-N 3.31Å; S622-D625 WeakPolarHBondContact OG-CB 3.16Å; S622-D625 PolarHBondContact OG-OD2 2.72Å; K623-D625 VanDerWaalsContact C-N 3.28Å; K623-D625 PolarHBondContact O-N 3.02Å; D625-V760 WeakPolarHBondContact O-CA 3.35Å; D625-K762 WeakPolarHBondContact O-CE 3.42Å
626T96.2Very high93.4Very high14 Ų1439.2 Ų39.29%0.08622%0.221CC..BIsolated β-bridgetrans-128.190176.1-55.80000109.7L621 S622 I629 K762L621-T626 CarbonylContact C-O 3.59Å; L621-T626 WeakPolarHBondContact CA-O 3.04Å; L621-T626 HydrophobicContact CD2-CG2 4.21Å; S622-T626 PolarHBondContact N-O 2.64Å; S622-T626 CarbonylContact O-C 3.58Å; S622-T626 VanDerWaalsContact O-C 3.29Å; S622-T626 PolarHBondContact O-N 2.9Å; S622-T626 PolarHBondContact OG-N 2.68Å; T626-I629 HydrophobicContact CG2-CD1 4.44Å; T626-I629 HydrophobicContact CG2-CG1 3.88Å; T626-K762 HydrophobicContact CG2-CB 4.02Å; T626-K762 HydrophobicContact CG2-CG 3.7Å; T626-K762 WeakPolarHBondContact OG1-CG 3.21Å
627E96.9Very high92.8Very high12 Ų1236.5 Ų36.56%0.05620%0.204CC..SBendtrans-91-31.3176.8-62.1-176.717600111.4K623 G624 H739 F741 C742 V760K623-E627 WeakPolarHBondContact CA-OE1 3.41Å; K623-E627 HydrophobicContact CD-CG 4.19Å; K623-E627 WeakPolarHBondContact CD-OE1 3.25Å; G624-E627 PolarHBondContact N-OE1 2.92Å; E627-H739 IonicContact OE2-CG 3.86Å; E627-H739 IonicContact OE2-ND1 3.59Å; E627-H739 PolarHBondContact OE2-ND1 2.86Å; E627-F741 CarbonylContact O-C 3.58Å; E627-F741 VanDerWaalsContact O-CA 3.31Å; E627-F741 WeakPolarHBondContact O-CA 3.38Å; E627-C742 PolarHBondContact O-N 2.86Å; E627-V760 HydrophobicContact CB-CB 3.92Å; E627-V760 HydrophobicContact CB-CG2 4.1Å; E627-V760 HydrophobicContact CG-CB 3.91Å; E627-V760 HydrophobicContact CG-CG1 4.13Å; E627-V760 HydrophobicContact CG-CG2 4.37Å; E627-V760 PolarHBondContact N-O 2.98Å
628M97.9Very high92.4Very high0 Ų036.5 Ų36.50%021%0.207CC..EExtended strand (participates in β ladder)trans-128.2133.1179.9178.8177.1-68.200111.5A731 I734 A735 C742 V760 V761 K762M628-A731 HydrophobicContact CE-CB 4.37Å; M628-A731 VanDerWaalsContact CE-O 3.24Å; M628-A731 WeakPolarHBondContact CE-O 3.42Å; M628-A731 HydrophobicContact SD-CB 4.04Å; M628-I734 HydrophobicContact CE-CB 3.75Å; M628-I734 HydrophobicContact CE-CG2 3.55Å; M628-A735 HydrophobicContact CE-CB 3.95Å; M628-A735 HydrophobicContact SD-CB 4.3Å; M628-C742 CarbonylContact C-O 3.46Å; M628-C742 VanDerWaalsContact CA-O 3.27Å; M628-C742 WeakPolarHBondContact CA-O 3.48Å; M628-C742 HydrophobicContact CB-CB 4.21Å; M628-C742 HydrophobicContact CE-CB 3.65Å; M628-C742 HydrophobicContact CG-CB 4.01Å; M628-V760 PolarHBondContact N-O 2.97Å; M628-V760 VanDerWaalsContact N-O 3.12Å; M628-V761 HydrophobicContact CB-CG2 4.09Å; M628-V761 HydrophobicContact CG-CG1 4.37Å; M628-V761 HydrophobicContact CG-CG2 4.43Å; M628-V761 WeakPolarHBondContact O-CA 3.5Å; M628-V761 HydrophobicContact SD-CG1 4.37Å; M628-V761 HydrophobicContact SD-CG2 4.1Å; M628-K762 PolarHBondContact O-N 3.41Å
629I97.8Very high92.1Very high1 Ų134.1 Ų34.11%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-107.2121168.1-68.8175.8000108.9L619 L621 T626 L631 C742 L743 F744 K762 F764L619-I629 HydrophobicContact CD1-CD1 3.67Å; L621-I629 HydrophobicContact CD2-CD1 3.8Å; L621-I629 HydrophobicContact CD2-CG1 3.89Å; T626-I629 HydrophobicContact CG2-CD1 4.44Å; T626-I629 HydrophobicContact CG2-CG1 3.88Å; I629-L631 HydrophobicContact CG2-CB 4.37Å; I629-C742 PolarHBondContact N-O 3.2Å; I629-L743 HydrophobicContact CB-CD2 3.91Å; I629-L743 HydrophobicContact CD1-CD2 4.06Å; I629-L743 HydrophobicContact CG1-CD2 4.33Å; I629-F744 PolarHBondContact O-N 3.34Å; I629-K762 WeakPolarHBondContact CA-O 3.49Å; I629-F764 HydrophobicContact CB-CD2 4.3Å; I629-F764 HydrophobicContact CD1-CD2 4.07Å; I629-F764 HydrophobicContact CD1-CE2 3.93Å; I629-F764 HydrophobicContact CD1-CZ 4.35Å; I629-F764 HydrophobicContact CG1-CD2 3.91Å; I629-F764 HydrophobicContact CG1-CE2 3.93Å; I629-F764 HydrophobicContact CG2-CB 3.78Å; I629-F764 HydrophobicContact CG2-CD2 3.58Å; I629-F764 HydrophobicContact CG2-CE2 4.45Å; I629-F764 HydrophobicContact CG2-CG 3.89Å
630V96.9Very high91.7Very high0 Ų035.5 Ų35.50%020%0.2CC..EExtended strand (participates in β ladder)trans-89.1110.8165.41780000107.6F744 L751 T752 V761 K762 F764V630-F744 CarbonylContact C-O 3.59Å; V630-F744 WeakPolarHBondContact CA-O 3.27Å; V630-L751 HydrophobicContact CG1-CD2 4.21Å; V630-L751 HydrophobicContact CG1-CG 4.21Å; V630-T752 HydrophobicContact CG1-CG2 4.28Å; V630-V761 HydrophobicContact CG2-CG1 3.72Å; V630-K762 PolarHBondContact N-O 3.07Å; V630-F764 PolarHBondContact O-N 3.34Å; V630-F764 VanDerWaalsContact O-O 3.11Å
631L95.3Very high91.4Very high1 Ų131 Ų311%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-102.2116.7-176.5-177.966.4000110.9I629 K639 Y642 L643 F744 A745 S746 F764 M766 V781I629-L631 HydrophobicContact CG2-CB 4.37Å; L631-K639 HydrophobicContact CD2-CB 4.06Å; L631-K639 HydrophobicContact CD2-CG 4.21Å; L631-K639 HydrophobicContact CG-CG 4.33Å; L631-Y642 HydrophobicContact CD2-CD1 3.81Å; L631-Y642 HydrophobicContact CD2-CG 4.49Å; L631-L643 HydrophobicContact CD2-CD1 3.88Å; L631-F744 PolarHBondContact N-O 3.08Å; L631-A745 WeakPolarHBondContact O-CA 3.46Å; L631-S746 PolarHBondContact O-N 2.95Å; L631-F764 WeakPolarHBondContact CA-O 3.46Å; L631-F764 HydrophobicContact CD1-CB 3.98Å; L631-M766 HydrophobicContact CD1-CG 4.42Å; L631-M766 HydrophobicContact CD1-SD 4.09Å; L631-M766 HydrophobicContact CD2-SD 4.19Å; L631-V781 HydrophobicContact CD1-CG1 4.27Å
632T92.5Very high91.2Very high1 Ų131.3 Ų31.31%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-110.2170.6176.259.10000111.8L749 T752 F764 Y765 M766T632-L749 HydrophobicContact CG2-CD2 4.27Å; T632-T752 HydrophobicContact CG2-CG2 3.6Å; T632-F764 PolarHBondContact N-O 3.41Å; T632-F764 PolarHBondContact OG1-O 3Å; T632-Y765 CarbonylContact O-C 3.55Å; T632-Y765 WeakPolarHBondContact O-CA 3.28Å; T632-M766 PolarHBondContact O-N 2.83Å
633G86.6Confident91.1Very high16 Ų1630.2 Ų30.217%0.16518%0.183CC..  trans138.2172.9173.600000113.3K639G633-K639 PolarHBondContact O-NZ 3.36Å
634P83.7Confident90.9Very high9 Ų931.6 Ų31.66%0.05819%0.187CC..  trans-59.4154.4-173.223-32.4000112.6G637 K639 A768 L777 F790P634-G637 PolarHBondContact O-N 3.07Å; P634-K639 PolarHBondContact O-NZ 2.82Å; P634-K639 VanDerWaalsContact O-NZ 3.09Å; P634-A768 HydrophobicContact CG-CB 3.92Å; P634-L777 HydrophobicContact CB-CD2 4.09Å; P634-L777 HydrophobicContact CG-CD2 3.58Å; P634-F790 HydrophobicContact CB-CB 4.02Å; P634-F790 HydrophobicContact CB-CD2 3.8Å; P634-F790 HydrophobicContact CB-CG 4.24Å; P634-F790 HydrophobicContact CG-CD2 3.89Å; P634-F790 HydrophobicContact CG-CE2 4.31Å
635N80.3Confident91Very high92 Ų9229 Ų2949%0.49216%0.157SC..THydrogen-bonded Turntrans-61.7147.9166-70.1-9000109.3G637 K639N635-G637 PolarHBondContact O-N 3.19Å; N635-K639 PolarHBondContact OD1-NZ 3.41Å
636M80.2Confident91Very high154 Ų15425.1 Ų25.176%0.75914%0.137SC*.THydrogen-bonded Turntrans63.8-2.9-168.7-5017467.700115G638 L777 Y779M636-G638 PolarHBondContact O-N 2.94Å; M636-L777 HydrophobicContact CB-CD1 3.88Å; M636-Y779 WeakPolarHBondContact O-CE1 3.4Å
637G82.8Confident90.8Very high2 Ų224.5 Ų24.52%0.02113%0.133CC..SBendtrans-66.4-9.3-178.900000115.3P634 N635 M766 Y779P634-G637 PolarHBondContact O-N 3.07Å; N635-G637 PolarHBondContact O-N 3.19Å; G637-M766 WeakPolarHBondContact O-CE 3.49Å; G637-Y779 WeakPolarHBondContact O-CD1 3.06Å
638G87.8Confident90.5Very high14 Ų1424.6 Ų24.614%0.14413%0.134CC..SBendtrans10412.117700000115.8M636 T641 Y642M636-G638 PolarHBondContact O-N 2.94Å; G638-T641 WeakPolarHBondContact O-CB 3.21Å; G638-T641 PolarHBondContact O-N 2.84Å; G638-Y642 PolarHBondContact O-N 3.02Å
639K90.9Very high90.4Very high8 Ų824.6 Ų24.64%0.03513%0.134CC..Hα-helixtrans-52.2-59.4179.4-60.3-172-62.1-82.30112.4L631 G633 P634 N635 T641 Y642 L643 A745 M766L631-K639 HydrophobicContact CD2-CB 4.06Å; L631-K639 HydrophobicContact CD2-CG 4.21Å; L631-K639 HydrophobicContact CG-CG 4.33Å; G633-K639 PolarHBondContact O-NZ 3.36Å; P634-K639 PolarHBondContact O-NZ 2.82Å; P634-K639 VanDerWaalsContact O-NZ 3.09Å; N635-K639 PolarHBondContact OD1-NZ 3.41Å; K639-T641 VanDerWaalsContact C-N 3.27Å; K639-T641 PolarHBondContact O-N 3.42Å; K639-Y642 WeakPolarHBondContact O-CB 3.23Å; K639-Y642 PolarHBondContact O-N 3.34Å; K639-Y642 VanDerWaalsContact O-N 3.12Å; K639-L643 VanDerWaalsContact O-CD1 3.3Å; K639-L643 WeakPolarHBondContact O-CD1 3.15Å; K639-L643 PolarHBondContact O-N 2.76Å; K639-L643 VanDerWaalsContact O-N 3.13Å; K639-A745 HydrophobicContact CB-CB 4.1Å; K639-A745 HydrophobicContact CD-CB 4.48Å; K639-M766 HydrophobicContact CG-CG 3.64Å
640S89.2Confident90.1Very high36 Ų3624.5 Ų24.525%0.25213%0.134SC..Hα-helixtrans-61-36179.9-40.50000112.5L643 R644 D712S640-L643 PolarHBondContact O-N 2.81Å; S640-R644 WeakPolarHBondContact O-CB 3.47Å; S640-R644 VanDerWaalsContact O-CG 3.3Å; S640-R644 WeakPolarHBondContact O-CG 3.26Å; S640-R644 PolarHBondContact O-N 2.81Å; S640-D712 WeakPolarHBondContact CB-OD2 3.3Å; S640-D712 PolarHBondContact OG-OD2 2.91Å
641T90.6Very high89.8Confident57 Ų5724.7 Ų24.735%0.3514%0.135SC..Hα-helixtrans-63.2-42.7176.3-54.10000111.4H603 L606 G638 K639 R644 Q645H603-T641 HydrophobicContact CB-CG2 4.44Å; L606-T641 HydrophobicContact CD2-CG2 3.71Å; G638-T641 WeakPolarHBondContact O-CB 3.21Å; G638-T641 PolarHBondContact O-N 2.84Å; K639-T641 VanDerWaalsContact C-N 3.27Å; K639-T641 PolarHBondContact O-N 3.42Å; T641-R644 PolarHBondContact O-N 2.86Å; T641-Q645 WeakPolarHBondContact O-CB 3.45Å; T641-Q645 PolarHBondContact O-N 2.64Å
642Y94.3Very high89.6Confident6 Ų626 Ų262%0.02414%0.141CC..Hα-helixtrans-64-44.5177.4-179.6-108.3000112.1N617 S618 L619 L631 G638 K639 Q645 A646 V781N617-Y642 HydrophobicContact CB-CD2 3.83Å; N617-Y642 HydrophobicContact CB-CE2 3.76Å; S618-Y642 PolarHBondContact O-OH 3.19Å; L619-Y642 WeakPolarHBondContact CA-OH 3.5Å; L619-Y642 HydrophobicContact CD1-CE1 4.44Å; L619-Y642 WeakPolarHBondContact CD1-OH 3.42Å; L631-Y642 HydrophobicContact CD2-CD1 3.81Å; L631-Y642 HydrophobicContact CD2-CG 4.49Å; G638-Y642 PolarHBondContact O-N 3.02Å; K639-Y642 WeakPolarHBondContact O-CB 3.23Å; K639-Y642 PolarHBondContact O-N 3.34Å; K639-Y642 VanDerWaalsContact O-N 3.12Å; Y642-Q645 PolarHBondContact O-N 3.42Å; Y642-A646 PolarHBondContact O-N 3.14Å; Y642-A646 VanDerWaalsContact O-N 3.11Å; Y642-V781 HydrophobicContact CD1-CG2 4.2Å; Y642-V781 HydrophobicContact CD2-CG2 3.65Å; Y642-V781 HydrophobicContact CE1-CG1 4.35Å; Y642-V781 HydrophobicContact CE1-CG2 4.34Å; Y642-V781 HydrophobicContact CE2-CB 4.33Å; Y642-V781 HydrophobicContact CE2-CG1 4.45Å; Y642-V781 HydrophobicContact CE2-CG2 3.81Å; Y642-V781 HydrophobicContact CG-CG2 3.82Å
643L93.6Very high89.5Confident0 Ų025.9 Ų25.90%014%0.141CC..Hα-helixtrans-59-51.1175.5-89.965.1000111.4L631 K639 S640 Q645 A646 A647 L710 I711 D712 L743 A745L631-L643 HydrophobicContact CD2-CD1 3.88Å; K639-L643 VanDerWaalsContact O-CD1 3.3Å; K639-L643 WeakPolarHBondContact O-CD1 3.15Å; K639-L643 PolarHBondContact O-N 2.76Å; K639-L643 VanDerWaalsContact O-N 3.13Å; S640-L643 PolarHBondContact O-N 2.81Å; L643-Q645 PolarHBondContact O-N 2.86Å; L643-A646 WeakPolarHBondContact O-CB 3.33Å; L643-A646 PolarHBondContact O-N 2.96Å; L643-A647 PolarHBondContact O-N 2.8Å; L643-L710 HydrophobicContact CD2-CB 4.31Å; L643-L710 HydrophobicContact CG-CD2 4.49Å; L643-I711 WeakPolarHBondContact CD2-O 3.35Å; L643-D712 HydrophobicContact CD2-CB 4.28Å; L643-L743 HydrophobicContact CD1-CB 4.09Å; L643-L743 HydrophobicContact CD2-CB 4.45Å; L643-L743 HydrophobicContact CG-CB 3.8Å; L643-L743 HydrophobicContact CG-CD1 4.4Å; L643-A745 HydrophobicContact CD1-CB 3.92Å; L643-A745 HydrophobicContact CD2-CB 3.89Å
644R90.7Very high89.6Confident93 Ų9326 Ų2635%0.35114%0.137SC..Hα-helixtrans-63.5-41.3179.7-69.4176.3-167.5-172.61.7111.9L313 S640 T641 A646 A647 V648 I676L313-R644 HydrophobicContact CD2-CB 4.48Å; S640-R644 WeakPolarHBondContact O-CB 3.47Å; S640-R644 VanDerWaalsContact O-CG 3.3Å; S640-R644 WeakPolarHBondContact O-CG 3.26Å; S640-R644 PolarHBondContact O-N 2.81Å; T641-R644 PolarHBondContact O-N 2.86Å; R644-A646 VanDerWaalsContact C-N 3.31Å; R644-A646 PolarHBondContact O-N 2.98Å; R644-A647 WeakPolarHBondContact O-CB 3.26Å; R644-A647 PolarHBondContact O-N 3.2Å; R644-V648 WeakPolarHBondContact O-CG2 3.36Å; R644-V648 PolarHBondContact O-N 3.15Å; R644-I676 HydrophobicContact CG-CD1 4.09Å
645Q92.6Very high89.6Confident9 Ų926.6 Ų26.64%0.04214%0.139CC..Hα-helixtrans-55.7-46.7176.2175.3-177.1-58.900111.5G601 R602 H603 T641 Y642 L643 A647 V648 I649G601-Q645 PolarHBondContact O-NE2 2.99Å; R602-Q645 VanDerWaalsContact C-CD 3.43Å; R602-Q645 VanDerWaalsContact C-OE1 3.28Å; H603-Q645 HydrophobicContact CB-CB 4.13Å; H603-Q645 HydrophobicContact CB-CG 4.31Å; H603-Q645 VanDerWaalsContact N-OE1 3.12Å; T641-Q645 WeakPolarHBondContact O-CB 3.45Å; T641-Q645 PolarHBondContact O-N 2.64Å; Y642-Q645 PolarHBondContact O-N 3.42Å; L643-Q645 PolarHBondContact O-N 2.86Å; Q645-A647 VanDerWaalsContact C-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.18Å; Q645-V648 PolarHBondContact O-N 2.99Å; Q645-I649 HydrophobicContact CG-CD1 3.77Å; Q645-I649 HydrophobicContact CG-CG1 4.49Å; Q645-I649 WeakPolarHBondContact O-CB 3.39Å; Q645-I649 VanDerWaalsContact O-CG1 3.29Å; Q645-I649 WeakPolarHBondContact O-CG1 3.46Å; Q645-I649 PolarHBondContact O-N 3.42Å
646A94.3Very high89.9Confident3 Ų322.2 Ų22.23%0.02512%0.116CC..Hα-helixtrans-58.5-47.6177.800000111.5L619 Y642 L643 R644 I649 V650 L743L619-A646 HydrophobicContact CD2-CB 3.57Å; Y642-A646 PolarHBondContact O-N 3.14Å; Y642-A646 VanDerWaalsContact O-N 3.11Å; L643-A646 WeakPolarHBondContact O-CB 3.33Å; L643-A646 PolarHBondContact O-N 2.96Å; R644-A646 VanDerWaalsContact C-N 3.31Å; R644-A646 PolarHBondContact O-N 2.98Å; A646-I649 PolarHBondContact O-N 3.3Å; A646-V650 WeakPolarHBondContact O-CG2 3.4Å; A646-V650 PolarHBondContact O-N 3.14Å; A646-L743 HydrophobicContact CB-CD1 3.62Å
647A92Very high90.5Very high0 Ų015.2 Ų15.20%08%0.082CC..Hα-helixtrans-56-54.6177.400000111.8L313 L643 R644 Q645 I649 V650 I651 I672 L710L313-A647 HydrophobicContact CD1-CB 3.5Å; L313-A647 HydrophobicContact CD2-CB 4.04Å; L313-A647 HydrophobicContact CG-CB 4.47Å; L643-A647 PolarHBondContact O-N 2.8Å; R644-A647 WeakPolarHBondContact O-CB 3.26Å; R644-A647 PolarHBondContact O-N 3.2Å; Q645-A647 VanDerWaalsContact C-N 3.34Å; Q645-A647 PolarHBondContact O-N 3.18Å; A647-I649 VanDerWaalsContact C-N 3.32Å; A647-I649 PolarHBondContact O-N 3.22Å; A647-V650 PolarHBondContact O-N 3.46Å; A647-I651 HydrophobicContact CB-CD1 4.46Å; A647-I651 WeakPolarHBondContact O-CD1 3.5Å; A647-I651 WeakPolarHBondContact O-CG1 3.29Å; A647-I651 PolarHBondContact O-N 3.08Å; A647-I672 HydrophobicContact CB-CG2 4.42Å; A647-L710 HydrophobicContact CB-CD1 3.43Å; A647-L710 VanDerWaalsContact CB-CD1 3.43Å
648V91.5Very high91.1Very high14 Ų1415.9 Ų15.99%0.0858%0.084CC..Hα-helixtrans-61.3-41.6-176.6178.20000111L313 P604 R644 Q645 I651 M652L313-V648 HydrophobicContact CD2-CG2 3.77Å; P604-V648 HydrophobicContact CG-CB 4.49Å; P604-V648 HydrophobicContact CG-CG1 3.5Å; P604-V648 VanDerWaalsContact CG-CG1 3.5Å; R644-V648 WeakPolarHBondContact O-CG2 3.36Å; R644-V648 PolarHBondContact O-N 3.15Å; Q645-V648 PolarHBondContact O-N 2.99Å; V648-I651 PolarHBondContact O-N 3.04Å; V648-M652 HydrophobicContact CG1-CG 4.13Å; V648-M652 HydrophobicContact CG1-SD 3.87Å; V648-M652 WeakPolarHBondContact O-CB 3.42Å; V648-M652 VanDerWaalsContact O-CG 3.26Å; V648-M652 WeakPolarHBondContact O-CG 3.36Å; V648-M652 PolarHBondContact O-N 2.67Å
649I94.3Very high91.5Very high0 Ų015.2 Ų15.20%08%0.078CC..Hα-helixtrans-62.8-44.3178-70.4172.2000111.2I598 Q645 A646 A647 I651 M652 A653 V659 P660I598-I649 HydrophobicContact CD1-CB 3.99Å; I598-I649 HydrophobicContact CD1-CD1 4.34Å; I598-I649 HydrophobicContact CD1-CG2 3.55Å; I598-I649 HydrophobicContact CG1-CG2 4.04Å; I598-I649 HydrophobicContact CG2-CD1 3.9Å; I598-I649 HydrophobicContact CG2-CG2 4.37Å; Q645-I649 HydrophobicContact CG-CD1 3.77Å; Q645-I649 HydrophobicContact CG-CG1 4.49Å; Q645-I649 WeakPolarHBondContact O-CB 3.39Å; Q645-I649 VanDerWaalsContact O-CG1 3.29Å; Q645-I649 WeakPolarHBondContact O-CG1 3.46Å; Q645-I649 PolarHBondContact O-N 3.42Å; A646-I649 PolarHBondContact O-N 3.3Å; A647-I649 VanDerWaalsContact C-N 3.32Å; A647-I649 PolarHBondContact O-N 3.22Å; I649-I651 VanDerWaalsContact C-N 3.32Å; I649-I651 PolarHBondContact O-N 3.2Å; I649-M652 PolarHBondContact O-N 3.46Å; I649-A653 WeakPolarHBondContact O-CB 3.33Å; I649-A653 PolarHBondContact O-N 3.22Å; I649-V659 HydrophobicContact CG2-CB 4.05Å; I649-V659 HydrophobicContact CG2-CG1 4.16Å; I649-V659 HydrophobicContact CG2-CG2 4.38Å; I649-P660 HydrophobicContact CD1-CG 4.26Å; I649-P660 HydrophobicContact CG1-CG 3.88Å
650V93Very high91.8Very high0 Ų014.8 Ų14.80%08%0.076CC..Hα-helixtrans-61.1-42.8177.1169.80000110.9I596 A646 A647 A653 Q654 V666 V669 I672 L708I596-V650 HydrophobicContact CD1-CG2 4.33Å; I596-V650 HydrophobicContact CG2-CG2 4.23Å; A646-V650 WeakPolarHBondContact O-CG2 3.4Å; A646-V650 PolarHBondContact O-N 3.14Å; A647-V650 PolarHBondContact O-N 3.46Å; V650-A653 PolarHBondContact O-N 2.66Å; V650-Q654 PolarHBondContact O-N 3.07Å; V650-V666 HydrophobicContact CB-CG1 4.34Å; V650-V666 HydrophobicContact CG1-CG1 4.04Å; V650-V666 HydrophobicContact CG2-CG1 4.03Å; V650-V669 HydrophobicContact CG1-CG1 4.49Å; V650-V669 HydrophobicContact CG1-CG2 3.42Å; V650-V669 VanDerWaalsContact CG1-CG2 3.42Å; V650-I672 HydrophobicContact CB-CD1 4.47Å; V650-I672 HydrophobicContact CG1-CD1 4.11Å; V650-L708 HydrophobicContact CB-CD2 4.44Å; V650-L708 HydrophobicContact CG2-CD2 4.11Å
651I89.5Confident92.2Very high4 Ų413.2 Ų13.22%0.0217%0.065CC..Hα-helixtrans-66.3-46.4176.6-67.7133.3000111.6L303 L313 L315 A647 V648 I649 A653 Q654 I655 I672L303-I651 HydrophobicContact CD2-CG1 3.8Å; L313-I651 HydrophobicContact CD1-CD1 3.38Å; L315-I651 HydrophobicContact CB-CG2 4.32Å; L315-I651 HydrophobicContact CD1-CB 3.96Å; L315-I651 HydrophobicContact CD1-CD1 3.1Å; L315-I651 HydrophobicContact CD1-CG1 3.63Å; L315-I651 HydrophobicContact CD1-CG2 3.68Å; L315-I651 HydrophobicContact CD2-CB 4.18Å; L315-I651 HydrophobicContact CD2-CG2 3.49Å; L315-I651 VanDerWaalsContact CD2-CG2 3.49Å; L315-I651 HydrophobicContact CG-CD1 4.38Å; L315-I651 HydrophobicContact CG-CG2 3.96Å; A647-I651 HydrophobicContact CB-CD1 4.46Å; A647-I651 WeakPolarHBondContact O-CD1 3.5Å; A647-I651 WeakPolarHBondContact O-CG1 3.29Å; A647-I651 PolarHBondContact O-N 3.08Å; V648-I651 PolarHBondContact O-N 3.04Å; I649-I651 VanDerWaalsContact C-N 3.32Å; I649-I651 PolarHBondContact O-N 3.2Å; I651-A653 VanDerWaalsContact C-N 3.27Å; I651-A653 PolarHBondContact O-N 3.45Å; I651-Q654 CarbonylContact O-C 3.29Å; I651-Q654 PolarHBondContact O-N 3.42Å; I651-I655 HydrophobicContact CG2-CD1 3.49Å; I651-I655 VanDerWaalsContact CG2-CD1 3.49Å; I651-I655 HydrophobicContact CG2-CG1 3.91Å; I651-I655 VanDerWaalsContact O-CB 3.31Å; I651-I655 WeakPolarHBondContact O-CB 3.26Å; I651-I655 VanDerWaalsContact O-CG1 3.26Å; I651-I655 WeakPolarHBondContact O-CG1 3.39Å; I651-I655 PolarHBondContact O-N 3.28Å; I651-I672 HydrophobicContact CD1-CD1 3.4Å; I651-I672 HydrophobicContact CG1-CD1 3.5Å
652M91.4Very high92.5Very high27 Ų2717.4 Ų17.413%0.1338%0.078CC..Hα-helixtrans-58.6-41.7178.4-74.4177.674.600111.6Y583 P604 V648 I649 I655 G656 S657 F658 V659 P660Y583-M652 HydrophobicContact CD2-CE 3.99Å; Y583-M652 HydrophobicContact CE2-CE 3.72Å; P604-M652 HydrophobicContact CB-SD 4.22Å; P604-M652 HydrophobicContact CG-SD 3.82Å; V648-M652 HydrophobicContact CG1-CG 4.13Å; V648-M652 HydrophobicContact CG1-SD 3.87Å; V648-M652 WeakPolarHBondContact O-CB 3.42Å; V648-M652 VanDerWaalsContact O-CG 3.26Å; V648-M652 WeakPolarHBondContact O-CG 3.36Å; V648-M652 PolarHBondContact O-N 2.67Å; I649-M652 PolarHBondContact O-N 3.46Å; M652-I655 PolarHBondContact O-N 2.76Å; M652-G656 PolarHBondContact O-N 3.06Å; M652-S657 PolarHBondContact O-N 3.25Å; M652-F658 VanDerWaalsContact CE-O 3.31Å; M652-F658 WeakPolarHBondContact CE-O 3.49Å; M652-V659 HydrophobicContact CB-CG1 3.88Å; M652-P660 HydrophobicContact SD-CG 4.43Å
653A91.2Very high92.6Very high0 Ų023.2 Ų23.20%010%0.104CC..Hα-helixtrans-61.3-51.7175.500000110.9P586 I588 I649 V650 I651 I655 G656 V659 V666P586-A653 HydrophobicContact CB-CB 3.94Å; P586-A653 HydrophobicContact CG-CB 3.82Å; I588-A653 HydrophobicContact CD1-CB 3.78Å; I649-A653 WeakPolarHBondContact O-CB 3.33Å; I649-A653 PolarHBondContact O-N 3.22Å; V650-A653 PolarHBondContact O-N 2.66Å; I651-A653 VanDerWaalsContact C-N 3.27Å; I651-A653 PolarHBondContact O-N 3.45Å; A653-I655 PolarHBondContact O-N 3.38Å; A653-G656 PolarHBondContact O-N 2.77Å; A653-V659 HydrophobicContact CB-CG1 3.94Å; A653-V666 HydrophobicContact CB-CB 4.24Å; A653-V666 HydrophobicContact CB-CG1 4.48Å; A653-V666 HydrophobicContact CB-CG2 4.08Å
654Q87Confident92.8Very high18 Ų1823.4 Ų23.48%0.08411%0.105CC..Hα-helixtrans-62-32.7176.9-80.2-172.8-143.600112L318 V650 I651 G656 L668 V669L318-Q654 HydrophobicContact CD1-CB 3.63Å; L318-Q654 VanDerWaalsContact CD1-O 3.29Å; L318-Q654 WeakPolarHBondContact CD1-O 3.46Å; L318-Q654 WeakPolarHBondContact CD2-O 3.44Å; V650-Q654 PolarHBondContact O-N 3.07Å; I651-Q654 CarbonylContact O-C 3.29Å; I651-Q654 PolarHBondContact O-N 3.42Å; Q654-G656 PolarHBondContact O-N 2.96Å; Q654-L668 HydrophobicContact CG-CD2 3.79Å; Q654-V669 PolarHBondContact NE2-O 2.86Å; Q654-V669 PolarHBondContact OE1-O 3.2Å
655I84.4Confident93Very high22 Ų2219.4 Ų19.411%0.1139%0.091CC..Hα-helixtrans-59.9-24.2179-79.4177.2000112.4L318 R324 F572 I651 M652 A653L318-I655 HydrophobicContact CD1-CB 4.28Å; L318-I655 HydrophobicContact CD1-CG1 3.68Å; L318-I655 VanDerWaalsContact CD1-N 3.34Å; L318-I655 HydrophobicContact CD2-CB 4.28Å; L318-I655 HydrophobicContact CD2-CG1 4.3Å; L318-I655 WeakPolarHBondContact CD2-O 3.14Å; L318-I655 VanDerWaalsContact CG-CA 3.46Å; L318-I655 HydrophobicContact CG-CB 4.16Å; L318-I655 HydrophobicContact CG-CG1 3.64Å; R324-I655 PolarHBondContact NH1-O 3.33Å; F572-I655 HydrophobicContact CE1-CG2 4.39Å; F572-I655 HydrophobicContact CE2-CG2 3.47Å; F572-I655 VanDerWaalsContact CE2-CG2 3.47Å; F572-I655 HydrophobicContact CZ-CG2 3.34Å; I651-I655 HydrophobicContact CG2-CD1 3.49Å; I651-I655 VanDerWaalsContact CG2-CD1 3.49Å; I651-I655 HydrophobicContact CG2-CG1 3.91Å; I651-I655 VanDerWaalsContact O-CB 3.31Å; I651-I655 WeakPolarHBondContact O-CB 3.26Å; I651-I655 VanDerWaalsContact O-CG1 3.26Å; I651-I655 WeakPolarHBondContact O-CG1 3.39Å; I651-I655 PolarHBondContact O-N 3.28Å; M652-I655 PolarHBondContact O-N 2.76Å; A653-I655 PolarHBondContact O-N 3.38Å
656G86.4Confident93Very high0 Ų019 Ų190%09%0.09CC..THydrogen-bonded Turntrans88.723.7-171.100000112.5L325 M652 A653 Q654L325-G656 VanDerWaalsContact CD2-C 3.47Å; M652-G656 PolarHBondContact O-N 3.06Å; A653-G656 PolarHBondContact O-N 2.77Å; Q654-G656 PolarHBondContact O-N 2.96Å
657S92.3Very high92.9Very high7 Ų719 Ų195%0.0499%0.09CC..  trans-104156.8176.4-1700000111.4L325 M652L325-S657 WeakPolarHBondContact CD2-O 3.05Å; M652-S657 PolarHBondContact O-N 3.25Å
658F95.6Very high92.6Very high15 Ų1521.6 Ų21.67%0.06610%0.103CC..  trans-71.4149.8169.9-7727000109.2L325 V328 G329 V332 A576 Y583 V584 K585 M652L325-F658 HydrophobicContact CD2-CD1 4.05Å; L325-F658 HydrophobicContact CD2-CE1 4.38Å; V328-F658 HydrophobicContact CB-CD1 4.42Å; V328-F658 HydrophobicContact CB-CE1 4.26Å; V328-F658 HydrophobicContact CG1-CD1 3.72Å; V328-F658 HydrophobicContact CG1-CE1 3.88Å; V328-F658 HydrophobicContact CG1-CG 4.37Å; G329-F658 VanDerWaalsContact CA-CZ 3.46Å; V332-F658 HydrophobicContact CB-CE2 4.16Å; V332-F658 HydrophobicContact CG1-CE2 4.01Å; V332-F658 HydrophobicContact CG2-CD2 4.14Å; V332-F658 HydrophobicContact CG2-CE2 3.93Å; V332-F658 HydrophobicContact CG2-CZ 4.31Å; A576-F658 HydrophobicContact CB-CB 3.87Å; A576-F658 HydrophobicContact CB-CD2 4.35Å; A576-F658 HydrophobicContact CB-CG 4.35Å; Y583-F658 WeakPolarHBondContact CD2-O 3.31Å; V584-F658 CarbonylContact O-C 3.55Å; V584-F658 WeakPolarHBondContact O-CA 3.47Å; V584-F658 WeakPolarHBondContact O-CB 3.34Å; K585-F658 HydrophobicContact CB-CD1 4.18Å; K585-F658 HydrophobicContact CB-CD2 4.43Å; K585-F658 HydrophobicContact CB-CE1 3.73Å; K585-F658 HydrophobicContact CB-CE2 4Å; K585-F658 HydrophobicContact CB-CZ 3.61Å; K585-F658 HydrophobicContact CD-CE1 4.34Å; K585-F658 HydrophobicContact CD-CZ 4.37Å; K585-F658 HydrophobicContact CG-CD1 4.36Å; K585-F658 HydrophobicContact CG-CE1 3.76Å; K585-F658 HydrophobicContact CG-CZ 4.02Å; M652-F658 VanDerWaalsContact CE-O 3.31Å; M652-F658 WeakPolarHBondContact CE-O 3.49Å
659V96.5Very high92.5Very high0 Ų021.2 Ų21.20%010%0.101CC..BIsolated β-bridgetrans-113.3149.9-170.7-62.40000113.3Y583 V584 P586 I649 M652 A653 A661 A664Y583-V659 WeakPolarHBondContact CA-O 3.45Å; Y583-V659 WeakPolarHBondContact CB-O 3.38Å; V584-V659 HydrophobicContact CG2-CG2 4.12Å; V584-V659 PolarHBondContact N-O 3.02Å; V584-V659 PolarHBondContact O-N 3.15Å; P586-V659 HydrophobicContact CB-CG1 4.33Å; P586-V659 HydrophobicContact CB-CG2 4.02Å; P586-V659 HydrophobicContact CG-CG1 4.08Å; P586-V659 HydrophobicContact CG-CG2 4.38Å; I649-V659 HydrophobicContact CG2-CB 4.05Å; I649-V659 HydrophobicContact CG2-CG1 4.16Å; I649-V659 HydrophobicContact CG2-CG2 4.38Å; M652-V659 HydrophobicContact CB-CG1 3.88Å; A653-V659 HydrophobicContact CB-CG1 3.94Å; V659-A661 VanDerWaalsContact C-N 3.27Å; V659-A661 HydrophobicContact CG2-CB 4.31Å; V659-A661 PolarHBondContact O-N 3.36Å; V659-A664 HydrophobicContact CG2-CB 3.58Å
660P97Very high91.7Very high0 Ų022.1 Ų22.10%011%0.106CC..SBendtrans-75.572.7178.332.9-39.4000111.8Y583 G601 R602 P604 I649 M652Y583-P660 HydrophobicContact CD1-CB 3.87Å; Y583-P660 HydrophobicContact CE1-CB 3.54Å; G601-P660 CarbonylContact C-O 3.57Å; G601-P660 WeakPolarHBondContact CA-O 3.34Å; R602-P660 HydrophobicContact CB-CB 4.31Å; R602-P660 PolarHBondContact N-O 2.87Å; R602-P660 WeakPolarHBondContact O-CG 3.11Å; P604-P660 HydrophobicContact CB-CB 4.49Å; P604-P660 HydrophobicContact CB-CG 4.01Å; P604-P660 HydrophobicContact CG-CG 4.2Å; I649-P660 HydrophobicContact CD1-CG 4.26Å; I649-P660 HydrophobicContact CG1-CG 3.88Å; M652-P660 HydrophobicContact SD-CG 4.43Å
661A97.4Very high91.3Very high2 Ų222.2 Ų22.22%0.01711%0.106CC..SBendtrans-145.9170.7178.600000110.6V584 I598 V659 A664V584-A661 VanDerWaalsContact CG1-O 3.28Å; V584-A661 WeakPolarHBondContact CG1-O 3.07Å; V584-A661 HydrophobicContact CG2-CB 4.26Å; V584-A661 WeakPolarHBondContact CG2-O 3.13Å; I598-A661 HydrophobicContact CG2-CB 3.9Å; V659-A661 VanDerWaalsContact C-N 3.27Å; V659-A661 HydrophobicContact CG2-CB 4.31Å; V659-A661 PolarHBondContact O-N 3.36Å; A661-A664 HydrophobicContact CB-CB 4.41Å
662K97Very high91.2Very high146 Ų14622 Ų2264%0.63511%0.105SC*.SBendtrans-80.6-36.5166.3-179.2178.1179.9-179.40111.4T599 D600T599-K662 HydrophobicContact CG2-CB 4.48Å; T599-K662 HydrophobicContact CG2-CD 4.39Å; T599-K662 WeakPolarHBondContact O-CB 3.34Å; T599-K662 PolarHBondContact O-N 2.83Å; D600-K662 HydrophobicContact CB-CB 3.84Å; D600-K662 VanDerWaalsContact OD2-CD 3.32Å; D600-K662 WeakPolarHBondContact OD2-CD 3.35Å
663K97.3Very high91.1Very high128 Ų12820.9 Ų20.956%0.55710%0.1SC*.EExtended strand (participates in β ladder)trans-151.9145.7173-173.4-176.8176.7-168.80108.2T599T599-K663 PolarHBondContact N-O 2.64Å; T599-K663 PolarHBondContact O-N 2.96Å
664A96.9Very high90.8Very high3 Ų321 Ų213%0.02510%0.1CC..EExtended strand (participates in β ladder)trans-141.9132.9171.900000110.8P586 N587 D597 V659 A661P586-A664 CarbonylContact C-O 3.42Å; P586-A664 WeakPolarHBondContact CA-O 3.38Å; P586-A664 HydrophobicContact CB-CB 4.09Å; N587-A664 PolarHBondContact N-O 2.92Å; D597-A664 CarbonylContact O-C 3.54Å; D597-A664 VanDerWaalsContact O-CA 3.26Å; D597-A664 WeakPolarHBondContact O-CA 3.47Å; V659-A664 HydrophobicContact CG2-CB 3.58Å; A661-A664 HydrophobicContact CB-CB 4.41Å
665S95.4Very high90.7Very high10 Ų1020.2 Ų20.27%0.0710%0.096CC..EExtended strand (participates in β ladder)trans-120.7123.2164.5-57.30000107.5N587 I596 D597N587-S665 CarbonylContact O-C 3.49Å; N587-S665 VanDerWaalsContact O-CA 3.26Å; N587-S665 WeakPolarHBondContact O-CA 2.94Å; I596-S665 CarbonylContact C-O 3.39Å; I596-S665 WeakPolarHBondContact CA-O 3.37Å; D597-S665 PolarHBondContact N-O 2.88Å; D597-S665 PolarHBondContact O-N 3.48Å
666V92.9Very high90.1Very high1 Ų120.3 Ų20.31%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-133.1114.7-173.9-178.40000109.3N587 I588 L589 V650 A653N587-V666 PolarHBondContact O-N 2.75Å; I588-V666 WeakPolarHBondContact CA-O 3.33Å; L589-V666 PolarHBondContact N-O 3.38Å; V650-V666 HydrophobicContact CB-CG1 4.34Å; V650-V666 HydrophobicContact CG1-CG1 4.04Å; V650-V666 HydrophobicContact CG2-CG1 4.03Å; A653-V666 HydrophobicContact CB-CB 4.24Å; A653-V666 HydrophobicContact CB-CG1 4.48Å; A653-V666 HydrophobicContact CB-CG2 4.08Å
667S91.1Very high88.9Confident3 Ų321.9 Ų21.92%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-68140.4166.3-56.70000110.3L589 G594 E595 V669L589-S667 WeakPolarHBondContact O-CA 3.37Å; G594-S667 PolarHBondContact N-OG 3.4Å; E595-S667 PolarHBondContact N-OG 3.28Å; E595-S667 VanDerWaalsContact O-CB 3.26Å; E595-S667 WeakPolarHBondContact O-CB 3.47Å; E595-S667 PolarHBondContact O-N 2.86Å; E595-S667 PolarHBondContact O-OG 3.46Å; S667-V669 PolarHBondContact O-N 3.07Å; S667-V669 VanDerWaalsContact O-N 3.09Å
668L86.8Confident86.7Confident53 Ų5322.9 Ų22.928%0.27712%0.122SC..PPolyproline II helixtrans-56.6117.4174.2-65.5179.1000110.2I588 L589 K591 Q654I588-L668 HydrophobicContact CG2-CD2 3.66Å; I588-L668 HydrophobicContact CG2-CG 4.06Å; L589-L668 PolarHBondContact O-N 2.92Å; K591-L668 HydrophobicContact CB-CB 4.04Å; Q654-L668 HydrophobicContact CG-CD2 3.79Å
669V88.4Confident84.1Confident7 Ų727 Ų274%0.04215%0.153CC..PPolyproline II helixtrans-91.7148.3171.6-65.30000110.1L303 I596 V650 Q654 S667 I672 D706 L708L303-V669 HydrophobicContact CD1-CB 4.47Å; L303-V669 HydrophobicContact CD1-CG2 3.69Å; L303-V669 VanDerWaalsContact CD1-O 3.24Å; L303-V669 WeakPolarHBondContact CD1-O 3.09Å; I596-V669 HydrophobicContact CD1-CG1 4.05Å; V650-V669 HydrophobicContact CG1-CG1 4.49Å; V650-V669 HydrophobicContact CG1-CG2 3.42Å; V650-V669 VanDerWaalsContact CG1-CG2 3.42Å; Q654-V669 PolarHBondContact NE2-O 2.86Å; Q654-V669 PolarHBondContact OE1-O 3.2Å; S667-V669 PolarHBondContact O-N 3.07Å; S667-V669 VanDerWaalsContact O-N 3.09Å; V669-I672 HydrophobicContact CG2-CD1 4.48Å; V669-I672 HydrophobicContact CG2-CG1 4.17Å; V669-D706 WeakPolarHBondContact CA-O 3.31Å; V669-D706 VanDerWaalsContact CB-O 3.29Å; V669-D706 WeakPolarHBondContact CB-O 3.48Å; V669-L708 HydrophobicContact CG1-CB 4.31Å
670D78.6Confident81.3Confident19 Ų1931.6 Ų31.610%0.10218%0.177CC..SBendtrans-92.5-27.1-177.875.9-16.6000113.5R304 K591 K704 D706 S707R304-D670 PolarHBondContact N-O 3.47Å; K591-D670 VanDerWaalsContact NZ-CB 3.32Å; K591-D670 IonicContact NZ-OD2 3.91Å; D670-K704 WeakPolarHBondContact OD2-CD 3.46Å; D670-D706 HydrophobicContact CB-CB 4.35Å; D670-D706 PolarHBondContact N-O 3.23Å; D670-D706 VanDerWaalsContact OD1-C 3.26Å; D670-S707 VanDerWaalsContact OD1-CA 3.27Å; D670-S707 WeakPolarHBondContact OD1-CA 3.37Å; D670-S707 WeakPolarHBondContact OD1-CB 3.36Å; D670-S707 PolarHBondContact OD1-N 3.39Å; D670-S707 PolarHBondContact OD1-OG 3.3Å
671S84Confident78.9Confident1 Ų133.9 Ų33.91%0.00719%0.189CC..EExtended strand (participates in β ladder)trans-149.8149.7174.573.90000112R304 S707 L708R304-S671 CarbonylContact O-C 3.58Å; R304-S671 WeakPolarHBondContact O-CA 3.39Å; R304-S671 VanDerWaalsContact O-CB 3.28Å; R304-S671 WeakPolarHBondContact O-CB 3.48Å; S671-S707 WeakPolarHBondContact O-CA 3.24Å; S671-S707 WeakPolarHBondContact OG-CB 3.45Å; S671-S707 PolarHBondContact OG-OG 2.83Å; S671-L708 PolarHBondContact O-N 3.41Å
672I88.5Confident76Confident0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-115.3117.7164.1-59177.7000107L303 R304 L305 D306 C309 A647 V650 I651 V669 T674 L708 L710L303-I672 HydrophobicContact CD1-CG1 4.23Å; L303-I672 HydrophobicContact CD2-CD1 3.84Å; L303-I672 HydrophobicContact CD2-CG1 4.12Å; R304-I672 PolarHBondContact O-N 3.35Å; L305-I672 HydrophobicContact CD2-CB 3.88Å; L305-I672 HydrophobicContact CD2-CD1 4.45Å; L305-I672 HydrophobicContact CD2-CG1 4.37Å; D306-I672 PolarHBondContact N-O 3.11Å; C309-I672 VanDerWaalsContact SG-CG2 3.55Å; A647-I672 HydrophobicContact CB-CG2 4.42Å; V650-I672 HydrophobicContact CB-CD1 4.47Å; V650-I672 HydrophobicContact CG1-CD1 4.11Å; I651-I672 HydrophobicContact CD1-CD1 3.4Å; I651-I672 HydrophobicContact CG1-CD1 3.5Å; V669-I672 HydrophobicContact CG2-CD1 4.48Å; V669-I672 HydrophobicContact CG2-CG1 4.17Å; I672-T674 HydrophobicContact CG2-CG2 4.11Å; I672-L708 CarbonylContact C-O 3.59Å; I672-L708 VanDerWaalsContact CA-O 3.28Å; I672-L708 WeakPolarHBondContact CA-O 3.38Å; I672-L708 HydrophobicContact CD1-CD2 4.39Å; I672-L708 HydrophobicContact CG1-CB 4.24Å; I672-L708 HydrophobicContact CG1-CD2 4.37Å; I672-L710 HydrophobicContact CG2-CD1 4.27Å
673L87.8Confident73.4Confident4 Ų445.2 Ų45.22%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-116.9133.2-174.6-55.9174.8000108.7D306 I699 V702 A703 L708 I709 L710D306-L673 HydrophobicContact CB-CD2 4.27Å; D306-L673 WeakPolarHBondContact OD2-CA 3.41Å; L673-I699 HydrophobicContact CB-CG1 4.15Å; L673-I699 HydrophobicContact CB-CG2 4.38Å; L673-I699 HydrophobicContact CD1-CG2 4.29Å; L673-V702 HydrophobicContact CD1-CB 4.44Å; L673-V702 HydrophobicContact CD1-CG1 4.39Å; L673-V702 HydrophobicContact CD2-CG1 4.11Å; L673-A703 HydrophobicContact CD1-CB 3.6Å; L673-L708 PolarHBondContact N-O 3.48Å; L673-I709 HydrophobicContact CB-CG1 4.42Å; L673-I709 HydrophobicContact CD1-CG1 4.45Å; L673-I709 CarbonylContact O-C 3.51Å; L673-I709 WeakPolarHBondContact O-CA 3.46Å; L673-L710 PolarHBondContact O-N 3.41Å
674T86.4Confident70.9Confident3 Ų342 Ų422%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-135138.6-168.9680000112.3D306 C309 I672 I676 L710D306-T674 PolarHBondContact OD1-OG1 2.93Å; D306-T674 PolarHBondContact OD2-N 2.72Å; C309-T674 WeakPolarHBondContact CA-OG1 3.46Å; C309-T674 HydrophobicContact CB-CG2 3.74Å; C309-T674 PolarHBondContact N-OG1 3.27Å; I672-T674 HydrophobicContact CG2-CG2 4.11Å; T674-I676 HydrophobicContact CG2-CD1 4.39Å; T674-L710 CarbonylContact C-O 3.21Å; T674-L710 WeakPolarHBondContact CA-O 3.34Å; T674-L710 HydrophobicContact CG2-CB 4.14Å; T674-L710 HydrophobicContact CG2-CD1 3.89Å; T674-L710 HydrophobicContact CG2-CG 4.28Å
675R84.7Confident68.9Low0 Ų045.3 Ų45.30%026%0.257CS..EExtended strand (participates in β ladder)trans-125.580.216617068.5-152.799.313.5105.6G677 E692 E695 I699 L710 I711 D712 L714R675-G677 PolarHBondContact NH1-O 2.87Å; R675-E692 VanDerWaalsContact NH2-CG 3.25Å; R675-E692 IonicContact NH2-OE1 2.67Å; R675-E692 PolarHBondContact NH2-OE1 3.41Å; R675-E695 WeakPolarHBondContact CD-OE2 3.47Å; R675-E695 IonicContact CZ-OE2 3.68Å; R675-E695 IonicContact NE-OE2 3.71Å; R675-E695 IonicContact NH1-OE2 3.38Å; R675-E695 PolarHBondContact NH1-OE2 3.37Å; R675-I699 HydrophobicContact CB-CD1 3.83Å; R675-L710 PolarHBondContact N-O 3.12Å; R675-I711 HydrophobicContact CB-CG1 4.3Å; R675-I711 HydrophobicContact CG-CG2 4.42Å; R675-D712 PolarHBondContact O-N 2.89Å; R675-L714 HydrophobicContact CG-CD1 4.16Å
676I72.2Confident67.2Low25 Ų2548.7 Ų48.713%0.12827%0.273CS..  trans-123.9113.5-177-59.5176.4000109.4R644 T674 L710 D712R644-I676 HydrophobicContact CG-CD1 4.09Å; T674-I676 HydrophobicContact CG2-CD1 4.39Å; I676-L710 HydrophobicContact CD1-CB 4.1Å; I676-L710 HydrophobicContact CD1-CD1 4.29Å; I676-L710 HydrophobicContact CG1-CB 4.49Å; I676-D712 HydrophobicContact CB-CB 4.42Å; I676-D712 HydrophobicContact CG1-CB 4.15Å; I676-D712 HydrophobicContact CG2-CB 4.37Å
677G59.5Low66.2Low33 Ų3351.8 Ų51.834%0.3430%0.295SS..  trans77.5146.7176.100000113.6R675R675-G677 PolarHBondContact NH1-O 2.87Å
678A46.8Very low65.3Low28 Ų2853.7 Ų53.723%0.23131%0.307CS..  trans-137.2112.3168.100000105.7T688 E692A678-T688 HydrophobicContact CB-CG2 4.48Å; A678-E692 HydrophobicContact CB-CG 4.47Å
679S41.2Very low65Low101 Ų10153.7 Ų53.771%0.70631%0.305SS*.  trans-88.9137.7160.344.60000107.5N681S679-N681 PolarHBondContact O-N 3.49Å; S679-N681 VanDerWaalsContact O-N 3.16Å
680D37.4Very low64.4Low97 Ų9758 Ų5852%0.51933%0.326SS..  trans-55.6124.3166.8-91.2-34.7000108.1Q682 T688D680-Q682 VanDerWaalsContact C-N 3.34Å; D680-Q682 HydrophobicContact CB-CG 4.15Å; D680-Q682 PolarHBondContact O-N 2.99Å; D680-T688 WeakPolarHBondContact OD1-CG2 3.35Å
681N45.9Very low64Low47 Ų4758.5 Ų58.525%0.25133%0.329SS..BIsolated β-bridgetrans-98.473170.9-143.7-42.3000108.2S679 Y683 K684 G685S679-N681 PolarHBondContact O-N 3.49Å; S679-N681 VanDerWaalsContact O-N 3.16Å; N681-Y683 PolarHBondContact O-N 3.35Å; N681-Y683 VanDerWaalsContact O-N 3.14Å; N681-K684 HydrophobicContact CB-CB 4.02Å; N681-K684 HydrophobicContact CB-CD 4Å; N681-K684 HydrophobicContact CB-CG 4.14Å; N681-K684 VanDerWaalsContact CG-CE 3.48Å; N681-K684 VanDerWaalsContact ND2-CD 3.34Å; N681-K684 WeakPolarHBondContact ND2-CD 3.31Å; N681-K684 WeakPolarHBondContact ND2-CE 3.21Å; N681-K684 PolarHBondContact ND2-NZ 2.85Å; N681-K684 WeakPolarHBondContact O-CA 3.17Å; N681-K684 PolarHBondContact O-N 2.82Å; N681-K684 WeakPolarHBondContact OD1-CG 3.46Å; N681-G685 PolarHBondContact O-N 3.41Å
682Q37.1Very low63.7Low160 Ų16058.5 Ų58.575%0.74833%0.329SS*.G310 helixtrans-53.7-35.2-176.9-66.2-176.8-3.500111.8D680 K684D680-Q682 VanDerWaalsContact C-N 3.34Å; D680-Q682 HydrophobicContact CB-CG 4.15Å; D680-Q682 PolarHBondContact O-N 2.99Å; Q682-K684 VanDerWaalsContact C-N 3.26Å; Q682-K684 PolarHBondContact O-N 2.78Å
683Y42.3Very low63.5Low226 Ų22660.2 Ų60.289%0.88634%0.338SS*.G310 helixtrans-68.2-21.2176.4-59.7-75.6000113.8N681N681-Y683 PolarHBondContact O-N 3.35Å; N681-Y683 VanDerWaalsContact O-N 3.14Å
684K45.7Very low62.9Low60 Ų6063.6 Ų63.626%0.26136%0.358SS..G310 helixtrans-101.3-4-175.5-63.8-178.7-167.4172.20114.4R221 N681 Q682 L686R221-K684 HydrophobicContact CB-CD 4.27Å; R221-K684 WeakPolarHBondContact O-CE 3.29Å; R221-K684 PolarHBondContact O-NZ 2.8Å; N681-K684 HydrophobicContact CB-CB 4.02Å; N681-K684 HydrophobicContact CB-CD 4Å; N681-K684 HydrophobicContact CB-CG 4.14Å; N681-K684 VanDerWaalsContact CG-CE 3.48Å; N681-K684 VanDerWaalsContact ND2-CD 3.34Å; N681-K684 WeakPolarHBondContact ND2-CD 3.31Å; N681-K684 WeakPolarHBondContact ND2-CE 3.21Å; N681-K684 PolarHBondContact ND2-NZ 2.85Å; N681-K684 WeakPolarHBondContact O-CA 3.17Å; N681-K684 PolarHBondContact O-N 2.82Å; N681-K684 WeakPolarHBondContact OD1-CG 3.46Å; Q682-K684 VanDerWaalsContact C-N 3.26Å; Q682-K684 PolarHBondContact O-N 2.78Å; K684-L686 PolarHBondContact O-N 3.06Å
685G53.8Low62.5Low73 Ų7365.8 Ų65.875%0.75337%0.368SS*.THydrogen-bonded Turntrans65.215.1176.800000115.5N681N681-G685 PolarHBondContact O-N 3.41Å
686L61.1Low62.5Low81 Ų8166 Ų6642%0.42437%0.37SS..BIsolated β-bridgetrans-100.7132.4174.6-66.8173.3000109.3K684 M690K684-L686 PolarHBondContact O-N 3.06Å; L686-M690 HydrophobicContact CD2-CG 4.14Å
687S70.3Confident63Low66 Ų6666.6 Ų66.646%0.46238%0.379SS..  trans-67.3155.1170.365.30000110.3F689 M690 T691S687-F689 VanDerWaalsContact C-N 3.3Å; S687-F689 PolarHBondContact O-N 2.78Å; S687-M690 PolarHBondContact O-N 3.11Å; S687-M690 WeakPolarHBondContact OG-CB 3.3Å; S687-M690 PolarHBondContact OG-N 3Å; S687-T691 PolarHBondContact O-N 2.89Å; S687-T691 PolarHBondContact O-OG1 3.21Å; S687-T691 VanDerWaalsContact O-OG1 3.06Å
688T72.6Confident63.8Low44 Ų4466 Ų6627%0.2737%0.367SS..Hα-helixtrans-45.9-56.1169.847.10000111A678 D680 M690 T691 E692A678-T688 HydrophobicContact CB-CG2 4.48Å; D680-T688 WeakPolarHBondContact OD1-CG2 3.35Å; T688-M690 PolarHBondContact O-N 2.98Å; T688-T691 WeakPolarHBondContact O-CB 3.48Å; T688-T691 PolarHBondContact O-N 3.31Å; T688-T691 VanDerWaalsContact O-N 3.11Å; T688-E692 WeakPolarHBondContact O-CG 3.49Å; T688-E692 PolarHBondContact O-N 3.14Å
689F80.9Confident65.7Low52 Ų5264.8 Ų64.823%0.22836%0.357CS..Hα-helixtrans-57.5-44.4-176.8-176.4-110.7000113.8S687 T691 E692 M693 T718 L726S687-F689 VanDerWaalsContact C-N 3.3Å; S687-F689 PolarHBondContact O-N 2.78Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 2.91Å; F689-E692 PolarHBondContact O-N 3.5Å; F689-M693 HydrophobicContact CD1-CG 4.27Å; F689-M693 HydrophobicContact CD2-CE 4.38Å; F689-M693 HydrophobicContact CD2-CG 4.39Å; F689-M693 HydrophobicContact CE1-CG 3.81Å; F689-M693 HydrophobicContact CE2-CE 3.77Å; F689-M693 HydrophobicContact CE2-CG 3.94Å; F689-M693 HydrophobicContact CE2-SD 3.96Å; F689-M693 HydrophobicContact CZ-CE 4.23Å; F689-M693 HydrophobicContact CZ-CG 3.62Å; F689-M693 HydrophobicContact CZ-SD 3.78Å; F689-M693 WeakPolarHBondContact O-CG 3.34Å; F689-M693 PolarHBondContact O-N 2.82Å; F689-T718 HydrophobicContact CD2-CG2 3.99Å; F689-T718 HydrophobicContact CE2-CG2 3.38Å; F689-T718 HydrophobicContact CZ-CG2 3.87Å; F689-L726 HydrophobicContact CE2-CD1 4.22Å; F689-L726 HydrophobicContact CZ-CD1 3.81Å
690M74.7Confident67.9Low99 Ų9961.8 Ų61.849%0.48833%0.333SS..Hα-helixtrans-62-41178.8-176.761.973.700111L686 S687 T688 E692 M693 V694L686-M690 HydrophobicContact CD2-CG 4.14Å; S687-M690 PolarHBondContact O-N 3.11Å; S687-M690 WeakPolarHBondContact OG-CB 3.3Å; S687-M690 PolarHBondContact OG-N 3Å; T688-M690 PolarHBondContact O-N 2.98Å; M690-E692 VanDerWaalsContact C-N 3.34Å; M690-E692 PolarHBondContact O-N 3.18Å; M690-M693 PolarHBondContact O-N 3.14Å; M690-V694 WeakPolarHBondContact O-CG2 3.36Å; M690-V694 PolarHBondContact O-N 3.47Å; M690-V694 HydrophobicContact SD-CG2 4.46Å
691T70.5Confident70.1Confident28 Ų2862.4 Ų62.417%0.17233%0.331CS..Hα-helixtrans-61.6-43.9175.9-51.10000110.8S687 T688 F689 M693 V694 E695S687-T691 PolarHBondContact O-N 2.89Å; S687-T691 PolarHBondContact O-OG1 3.21Å; S687-T691 VanDerWaalsContact O-OG1 3.06Å; T688-T691 WeakPolarHBondContact O-CB 3.48Å; T688-T691 PolarHBondContact O-N 3.31Å; T688-T691 VanDerWaalsContact O-N 3.11Å; F689-T691 VanDerWaalsContact C-N 3.29Å; F689-T691 PolarHBondContact O-N 2.91Å; T691-M693 VanDerWaalsContact C-N 3.32Å; T691-M693 PolarHBondContact O-N 2.89Å; T691-V694 PolarHBondContact O-N 3.05Å; T691-E695 WeakPolarHBondContact O-CG 3.45Å; T691-E695 PolarHBondContact O-N 3Å
692E78.9Confident71.8Confident1 Ų161.4 Ų61.41%0.00533%0.327CS..Hα-helixtrans-60-41.8177.2-42.9-160.4153.900112.2R675 A678 T688 F689 M690 A696 L714 G715 R716R675-E692 VanDerWaalsContact NH2-CG 3.25Å; R675-E692 IonicContact NH2-OE1 2.67Å; R675-E692 PolarHBondContact NH2-OE1 3.41Å; A678-E692 HydrophobicContact CB-CG 4.47Å; T688-E692 WeakPolarHBondContact O-CG 3.49Å; T688-E692 PolarHBondContact O-N 3.14Å; F689-E692 PolarHBondContact O-N 3.5Å; M690-E692 VanDerWaalsContact C-N 3.34Å; M690-E692 PolarHBondContact O-N 3.18Å; E692-A696 WeakPolarHBondContact O-CB 3.46Å; E692-A696 PolarHBondContact O-N 3.3Å; E692-L714 HydrophobicContact CB-CD1 4.21Å; E692-G715 PolarHBondContact OE2-N 3.45Å; E692-R716 IonicContact OE1-NE 2.8Å; E692-R716 PolarHBondContact OE1-NE 3.35Å
693M83.6Confident74.2Confident37 Ų3754.4 Ų54.418%0.18230%0.297CS..Hα-helixtrans-71.1-39-178.4-67.4-58.598.500112.4F689 M690 T691 A696 A697 L714 L726F689-M693 HydrophobicContact CD1-CG 4.27Å; F689-M693 HydrophobicContact CD2-CE 4.38Å; F689-M693 HydrophobicContact CD2-CG 4.39Å; F689-M693 HydrophobicContact CE1-CG 3.81Å; F689-M693 HydrophobicContact CE2-CE 3.77Å; F689-M693 HydrophobicContact CE2-CG 3.94Å; F689-M693 HydrophobicContact CE2-SD 3.96Å; F689-M693 HydrophobicContact CZ-CE 4.23Å; F689-M693 HydrophobicContact CZ-CG 3.62Å; F689-M693 HydrophobicContact CZ-SD 3.78Å; F689-M693 WeakPolarHBondContact O-CG 3.34Å; F689-M693 PolarHBondContact O-N 2.82Å; M690-M693 PolarHBondContact O-N 3.14Å; T691-M693 VanDerWaalsContact C-N 3.32Å; T691-M693 PolarHBondContact O-N 2.89Å; M693-A696 PolarHBondContact O-N 3.43Å; M693-A697 VanDerWaalsContact O-CB 3.26Å; M693-A697 WeakPolarHBondContact O-CB 3.1Å; M693-A697 PolarHBondContact O-N 3.02Å; M693-L714 HydrophobicContact CE-CD1 3.72Å; M693-L714 HydrophobicContact CE-CG 4.48Å; M693-L726 HydrophobicContact SD-CD1 3.93Å
694V75.5Confident76.3Confident75 Ų7548.7 Ų48.746%0.45528%0.276SS..Hα-helixtrans-63.5-44.2175.21710000110.7M690 T691 A697 N698M690-V694 WeakPolarHBondContact O-CG2 3.36Å; M690-V694 PolarHBondContact O-N 3.47Å; M690-V694 HydrophobicContact SD-CG2 4.46Å; T691-V694 PolarHBondContact O-N 3.05Å; V694-A697 PolarHBondContact O-N 3.37Å; V694-N698 WeakPolarHBondContact O-CB 3.38Å; V694-N698 PolarHBondContact O-N 3.18Å
695E77.1Confident78.6Confident49 Ų4948.8 Ų48.823%0.22928%0.283CS..Hα-helixtrans-62.5-48.2176.2-72.6172.4-176.400111.4R675 T691 A697 N698 I699R675-E695 WeakPolarHBondContact CD-OE2 3.47Å; R675-E695 IonicContact CZ-OE2 3.68Å; R675-E695 IonicContact NE-OE2 3.71Å; R675-E695 IonicContact NH1-OE2 3.38Å; R675-E695 PolarHBondContact NH1-OE2 3.37Å; T691-E695 WeakPolarHBondContact O-CG 3.45Å; T691-E695 PolarHBondContact O-N 3Å; E695-A697 PolarHBondContact O-N 3.5Å; E695-N698 WeakPolarHBondContact O-CB 3.29Å; E695-N698 PolarHBondContact O-N 3.03Å; E695-N698 VanDerWaalsContact O-N 3.14Å; E695-I699 WeakPolarHBondContact O-CG1 3.32Å; E695-I699 PolarHBondContact O-N 3.17Å
696A85.1Confident80.2Confident4 Ų446.6 Ų46.63%0.03326%0.255CS..Hα-helixtrans-61.7-41.9177.900000112.6E692 M693 N698 I699 L700 L714 I730E692-A696 WeakPolarHBondContact O-CB 3.46Å; E692-A696 PolarHBondContact O-N 3.3Å; M693-A696 PolarHBondContact O-N 3.43Å; A696-N698 VanDerWaalsContact C-N 3.29Å; A696-N698 PolarHBondContact O-N 3.06Å; A696-I699 PolarHBondContact O-N 3.4Å; A696-L700 WeakPolarHBondContact O-CG 3.35Å; A696-L700 PolarHBondContact O-N 3.16Å; A696-L714 HydrophobicContact CB-CD1 4.16Å; A696-L714 HydrophobicContact CB-CD2 4.37Å; A696-I730 HydrophobicContact CB-CD1 4.11Å
697A82.7Confident81.7Confident38 Ų3842.7 Ų42.731%0.31423%0.234SC..Hα-helixtrans-62.3-37.5175.100000112M693 V694 E695 K701M693-A697 VanDerWaalsContact O-CB 3.26Å; M693-A697 WeakPolarHBondContact O-CB 3.1Å; M693-A697 PolarHBondContact O-N 3.02Å; V694-A697 PolarHBondContact O-N 3.37Å; E695-A697 PolarHBondContact O-N 3.5Å; A697-K701 WeakPolarHBondContact O-CB 3.48Å; A697-K701 VanDerWaalsContact O-CG 3.31Å; A697-K701 WeakPolarHBondContact O-CG 3.26Å; A697-K701 PolarHBondContact O-N 3.3Å
698N77Confident82.9Confident19 Ų1939.6 Ų39.610%0.10221%0.213CC..Hα-helixtrans-65.1-45174.9-172.747.2000111.7S189 V694 E695 A696 L700 K701 V702S189-N698 VanDerWaalsContact CB-OD1 3.3Å; S189-N698 WeakPolarHBondContact CB-OD1 3.48Å; S189-N698 PolarHBondContact OG-OD1 3.11Å; V694-N698 WeakPolarHBondContact O-CB 3.38Å; V694-N698 PolarHBondContact O-N 3.18Å; E695-N698 WeakPolarHBondContact O-CB 3.29Å; E695-N698 PolarHBondContact O-N 3.03Å; E695-N698 VanDerWaalsContact O-N 3.14Å; A696-N698 VanDerWaalsContact C-N 3.29Å; A696-N698 PolarHBondContact O-N 3.06Å; N698-L700 VanDerWaalsContact C-N 3.35Å; N698-L700 PolarHBondContact O-N 2.92Å; N698-K701 PolarHBondContact O-N 2.97Å; N698-K701 VanDerWaalsContact O-N 3.15Å; N698-V702 WeakPolarHBondContact O-CB 3.4Å; N698-V702 WeakPolarHBondContact O-CG2 3.37Å; N698-V702 PolarHBondContact O-N 2.96Å
699I86.3Confident83.9Confident4 Ų437.5 Ų37.52%0.02120%0.2CC..Hα-helixtrans-54.9-51.4175.8-66.4173.1000110L673 R675 E695 A696 K701 V702 A703 I709L673-I699 HydrophobicContact CB-CG1 4.15Å; L673-I699 HydrophobicContact CB-CG2 4.38Å; L673-I699 HydrophobicContact CD1-CG2 4.29Å; R675-I699 HydrophobicContact CB-CD1 3.83Å; E695-I699 WeakPolarHBondContact O-CG1 3.32Å; E695-I699 PolarHBondContact O-N 3.17Å; A696-I699 PolarHBondContact O-N 3.4Å; I699-K701 PolarHBondContact O-N 3.44Å; I699-V702 PolarHBondContact O-N 2.75Å; I699-A703 WeakPolarHBondContact O-CB 3.48Å; I699-A703 PolarHBondContact O-N 2.7Å; I699-I709 HydrophobicContact CG2-CD1 3.87Å; I699-I709 HydrophobicContact CG2-CG1 4.15Å; I699-I709 HydrophobicContact CG2-CG2 3.76Å
700L88.6Confident84.6Confident38 Ų3835 Ų3520%0.19919%0.189CC..Hα-helixtrans-63.3-26.9-178.9-67.9-178.4000114.2A696 N698 I730 D733 I734 R737A696-L700 WeakPolarHBondContact O-CG 3.35Å; A696-L700 PolarHBondContact O-N 3.16Å; N698-L700 VanDerWaalsContact C-N 3.35Å; N698-L700 PolarHBondContact O-N 2.92Å; L700-I730 HydrophobicContact CD1-CG1 4.26Å; L700-I730 HydrophobicContact CD1-CG2 4.48Å; L700-I730 HydrophobicContact CD2-CG2 4.29Å; L700-D733 WeakPolarHBondContact CD2-OD2 3.35Å; L700-I734 HydrophobicContact CD2-CD1 4.19Å; L700-I734 HydrophobicContact CD2-CG1 3.61Å; L700-R737 PolarHBondContact O-NH2 2.82Å
701K82.6Confident85.5Confident110 Ų11030.4 Ų30.448%0.47817%0.166SC..Hα-helixtrans-83.1-34.4178.4-76.6178.8177.6-171.60113.1H187 A697 N698 I699H187-K701 PolarHBondContact CD2-NZ 3.46Å; H187-K701 PolarHBondContact NE2-NZ 2.98Å; A697-K701 WeakPolarHBondContact O-CB 3.48Å; A697-K701 VanDerWaalsContact O-CG 3.31Å; A697-K701 WeakPolarHBondContact O-CG 3.26Å; A697-K701 PolarHBondContact O-N 3.3Å; N698-K701 PolarHBondContact O-N 2.97Å; N698-K701 VanDerWaalsContact O-N 3.15Å; I699-K701 PolarHBondContact O-N 3.44Å
702V80.9Confident86.5Confident25 Ų2529.4 Ų29.415%0.15216%0.16CC..Hα-helixtrans-95-34.4-173.4176.20000112.3L673 N698 I699L673-V702 HydrophobicContact CD1-CB 4.44Å; L673-V702 HydrophobicContact CD1-CG1 4.39Å; L673-V702 HydrophobicContact CD2-CG1 4.11Å; N698-V702 WeakPolarHBondContact O-CB 3.4Å; N698-V702 WeakPolarHBondContact O-CG2 3.37Å; N698-V702 PolarHBondContact O-N 2.96Å; I699-V702 PolarHBondContact O-N 2.75Å
703A87.5Confident86.9Confident14 Ų1431 Ų3112%0.11617%0.167CC..  trans-59.3138.9-173.300000112.7L673 I699 I709 V738L673-A703 HydrophobicContact CD1-CB 3.6Å; I699-A703 WeakPolarHBondContact O-CB 3.48Å; I699-A703 PolarHBondContact O-N 2.7Å; A703-I709 HydrophobicContact CB-CD1 3.75Å; A703-I709 HydrophobicContact CB-CG1 4.4Å; A703-V738 HydrophobicContact CB-CG1 3.78Å
704K88.1Confident87.1Confident106 Ų10629.2 Ų29.246%0.46116%0.158SC..  trans-121.6174.4172.5-64.2-177179.7179.30109.7D670 D706 S707 A740D670-K704 WeakPolarHBondContact OD2-CD 3.46Å; K704-D706 PolarHBondContact O-N 2.94Å; K704-S707 PolarHBondContact N-OG 2.93Å; K704-S707 VanDerWaalsContact O-CB 3.25Å; K704-S707 WeakPolarHBondContact O-CB 3.32Å; K704-S707 PolarHBondContact O-N 2.84Å; K704-S707 VanDerWaalsContact O-N 3.07Å; K704-S707 PolarHBondContact O-OG 2.87Å; K704-A740 WeakPolarHBondContact O-CB 3.34Å
705C92.2Very high87.4Confident61 Ų6125.6 Ų25.641%0.41214%0.137SC..THydrogen-bonded Turntrans-57.7-32.8179.8580000113.5K623 S707 V738 H739K623-C705 VanDerWaalsContact CE-O 3.27Å; K623-C705 WeakPolarHBondContact CE-O 3.23Å; K623-C705 PolarHBondContact NZ-O 3.34Å; C705-S707 VanDerWaalsContact C-N 3.31Å; C705-S707 PolarHBondContact O-N 3.35Å; C705-V738 WeakPolarHBondContact CA-O 3.37Å; C705-H739 WeakPolarHBondContact CA-O 3.08Å
706D88.9Confident87.7Confident27 Ų2727.8 Ų27.814%0.14414%0.143CC..THydrogen-bonded Turntrans-91.112-179.6-56.9-43.1000113.5K591 V669 D670 K704K591-D706 WeakPolarHBondContact CE-OD2 3.39Å; K591-D706 HydrophobicContact CG-CB 4.39Å; K591-D706 IonicContact NZ-OD2 3.75Å; V669-D706 WeakPolarHBondContact CA-O 3.31Å; V669-D706 VanDerWaalsContact CB-O 3.29Å; V669-D706 WeakPolarHBondContact CB-O 3.48Å; D670-D706 HydrophobicContact CB-CB 4.35Å; D670-D706 PolarHBondContact N-O 3.23Å; D670-D706 VanDerWaalsContact OD1-C 3.26Å; K704-D706 PolarHBondContact O-N 2.94Å
707S91.9Very high87.3Confident0 Ų029.3 Ų29.30%016%0.159CC..  trans-85.9149.6178.8-54.80000111.5D670 S671 K704 C705 F741D670-S707 VanDerWaalsContact OD1-CA 3.27Å; D670-S707 WeakPolarHBondContact OD1-CA 3.37Å; D670-S707 WeakPolarHBondContact OD1-CB 3.36Å; D670-S707 PolarHBondContact OD1-N 3.39Å; D670-S707 PolarHBondContact OD1-OG 3.3Å; S671-S707 WeakPolarHBondContact O-CA 3.24Å; S671-S707 WeakPolarHBondContact OG-CB 3.45Å; S671-S707 PolarHBondContact OG-OG 2.83Å; K704-S707 PolarHBondContact N-OG 2.93Å; K704-S707 VanDerWaalsContact O-CB 3.25Å; K704-S707 WeakPolarHBondContact O-CB 3.32Å; K704-S707 PolarHBondContact O-N 2.84Å; K704-S707 VanDerWaalsContact O-N 3.07Å; K704-S707 PolarHBondContact O-OG 2.87Å; C705-S707 VanDerWaalsContact C-N 3.31Å; C705-S707 PolarHBondContact O-N 3.35Å; S707-F741 PolarHBondContact O-N 2.81Å
708L94.7Very high87.3Confident1 Ų129.7 Ų29.71%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-106.1116.6168.1173.364.8000109.5L621 V650 V669 S671 I672 L673 L710 F741L621-L708 HydrophobicContact CD1-CD1 4.23Å; V650-L708 HydrophobicContact CB-CD2 4.44Å; V650-L708 HydrophobicContact CG2-CD2 4.11Å; V669-L708 HydrophobicContact CG1-CB 4.31Å; S671-L708 PolarHBondContact O-N 3.41Å; I672-L708 CarbonylContact C-O 3.59Å; I672-L708 VanDerWaalsContact CA-O 3.28Å; I672-L708 WeakPolarHBondContact CA-O 3.38Å; I672-L708 HydrophobicContact CD1-CD2 4.39Å; I672-L708 HydrophobicContact CG1-CB 4.24Å; I672-L708 HydrophobicContact CG1-CD2 4.37Å; L673-L708 PolarHBondContact N-O 3.48Å; L708-L710 HydrophobicContact CD1-CD2 4.19Å; L708-L710 HydrophobicContact CG-CD2 4.18Å; L708-F741 CarbonylContact C-O 3.59Å; L708-F741 WeakPolarHBondContact CA-O 3.27Å; L708-F741 HydrophobicContact CD1-CB 3.93Å
709I95Very high87.7Confident0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-105.6132.9-177.8-58173.6000109.3L673 I699 A703 I711 I734 A740 F741 C742 L743L673-I709 HydrophobicContact CB-CG1 4.42Å; L673-I709 HydrophobicContact CD1-CG1 4.45Å; L673-I709 CarbonylContact O-C 3.51Å; L673-I709 WeakPolarHBondContact O-CA 3.46Å; I699-I709 HydrophobicContact CG2-CD1 3.87Å; I699-I709 HydrophobicContact CG2-CG1 4.15Å; I699-I709 HydrophobicContact CG2-CG2 3.76Å; A703-I709 HydrophobicContact CB-CD1 3.75Å; A703-I709 HydrophobicContact CB-CG1 4.4Å; I709-I711 HydrophobicContact CG2-CD1 3.91Å; I709-I711 HydrophobicContact CG2-CG1 3.84Å; I709-I734 HydrophobicContact CD1-CD1 4.09Å; I709-I734 HydrophobicContact CD1-CG1 4.14Å; I709-I734 HydrophobicContact CD1-CG2 3.75Å; I709-I734 HydrophobicContact CG2-CD1 4.32Å; I709-A740 HydrophobicContact CD1-CB 3.6Å; I709-A740 HydrophobicContact CG1-CB 4.13Å; I709-F741 PolarHBondContact N-O 3.08Å; I709-C742 HydrophobicContact CB-CB 4.22Å; I709-C742 CarbonylContact O-C 3.56Å; I709-C742 VanDerWaalsContact O-CA 3.29Å; I709-C742 WeakPolarHBondContact O-CA 3.32Å; I709-L743 PolarHBondContact O-N 3.04Å
710L94.7Very high87.4Confident0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-122.5113.6176.4-49.9175.6000108.9L643 A647 I672 L673 T674 R675 I676 L708 L743L643-L710 HydrophobicContact CD2-CB 4.31Å; L643-L710 HydrophobicContact CG-CD2 4.49Å; A647-L710 HydrophobicContact CB-CD1 3.43Å; A647-L710 VanDerWaalsContact CB-CD1 3.43Å; I672-L710 HydrophobicContact CG2-CD1 4.27Å; L673-L710 PolarHBondContact O-N 3.41Å; T674-L710 CarbonylContact C-O 3.21Å; T674-L710 WeakPolarHBondContact CA-O 3.34Å; T674-L710 HydrophobicContact CG2-CB 4.14Å; T674-L710 HydrophobicContact CG2-CD1 3.89Å; T674-L710 HydrophobicContact CG2-CG 4.28Å; R675-L710 PolarHBondContact N-O 3.12Å; I676-L710 HydrophobicContact CD1-CB 4.1Å; I676-L710 HydrophobicContact CD1-CD1 4.29Å; I676-L710 HydrophobicContact CG1-CB 4.49Å; L708-L710 HydrophobicContact CD1-CD2 4.19Å; L708-L710 HydrophobicContact CG-CD2 4.18Å; L710-L743 HydrophobicContact CD2-CB 3.87Å; L710-L743 HydrophobicContact CD2-CD1 3.79Å; L710-L743 HydrophobicContact CD2-CG 3.97Å
711I93.5Very high87.3Confident2 Ų242.3 Ų42.31%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-118.1125.4179.2-65.4169.8000108.5L643 R675 I709 L714 I730 I734 L743 F744 A745L643-I711 WeakPolarHBondContact CD2-O 3.35Å; R675-I711 HydrophobicContact CB-CG1 4.3Å; R675-I711 HydrophobicContact CG-CG2 4.42Å; I709-I711 HydrophobicContact CG2-CD1 3.91Å; I709-I711 HydrophobicContact CG2-CG1 3.84Å; I711-L714 HydrophobicContact CG2-CB 3.58Å; I711-L714 HydrophobicContact CG2-CD2 4.17Å; I711-L714 HydrophobicContact CG2-CG 4.47Å; I711-I730 HydrophobicContact CD1-CG2 4.43Å; I711-I734 HydrophobicContact CD1-CD1 3.67Å; I711-L743 PolarHBondContact N-O 3.09Å; I711-F744 HydrophobicContact CB-CD1 4.48Å; I711-F744 HydrophobicContact CB-CD2 4.04Å; I711-F744 HydrophobicContact CB-CE2 4.19Å; I711-F744 HydrophobicContact CB-CG 4.19Å; I711-F744 HydrophobicContact CB-CZ 4.47Å; I711-F744 HydrophobicContact CD1-CD2 3.77Å; I711-F744 HydrophobicContact CD1-CE2 3.68Å; I711-F744 HydrophobicContact CG1-CD2 4.48Å; I711-F744 HydrophobicContact CG2-CD1 4.16Å; I711-F744 HydrophobicContact CG2-CD2 4.12Å; I711-F744 HydrophobicContact CG2-CE1 3.85Å; I711-F744 HydrophobicContact CG2-CE2 3.81Å; I711-F744 HydrophobicContact CG2-CG 4.29Å; I711-F744 HydrophobicContact CG2-CZ 3.67Å; I711-F744 CarbonylContact O-C 3.53Å; I711-A745 PolarHBondContact O-N 2.82Å
712D90.8Very high87.5Confident7 Ų741.6 Ų41.64%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-122.3109.3-179.2-164.417.7000110.6S640 L643 R675 I676 L714S640-D712 WeakPolarHBondContact CB-OD2 3.3Å; S640-D712 PolarHBondContact OG-OD2 2.91Å; L643-D712 HydrophobicContact CD2-CB 4.28Å; R675-D712 PolarHBondContact O-N 2.89Å; I676-D712 HydrophobicContact CB-CB 4.42Å; I676-D712 HydrophobicContact CG1-CB 4.15Å; I676-D712 HydrophobicContact CG2-CB 4.37Å; D712-L714 PolarHBondContact O-N 2.75Å
713E87.4Confident87.8Confident33 Ų3340.4 Ų40.415%0.15422%0.219CC..SBendtrans55.844174.6-59.8-179170.900115.2R716 A745E713-R716 IonicContact OE2-NH1 3.48Å; E713-R716 PolarHBondContact OE2-NH1 2.94Å; E713-A745 PolarHBondContact N-O 2.78Å
714L87.9Confident88Confident0 Ų041.1 Ų41.10%022%0.221CC..THydrogen-bonded Turntrans-60.6138.3175.7-177.164.5000112.1R675 E692 M693 A696 I711 D712 S727 I730 F744 F748R675-L714 HydrophobicContact CG-CD1 4.16Å; E692-L714 HydrophobicContact CB-CD1 4.21Å; M693-L714 HydrophobicContact CE-CD1 3.72Å; M693-L714 HydrophobicContact CE-CG 4.48Å; A696-L714 HydrophobicContact CB-CD1 4.16Å; A696-L714 HydrophobicContact CB-CD2 4.37Å; I711-L714 HydrophobicContact CG2-CB 3.58Å; I711-L714 HydrophobicContact CG2-CD2 4.17Å; I711-L714 HydrophobicContact CG2-CG 4.47Å; D712-L714 PolarHBondContact O-N 2.75Å; L714-S727 PolarHBondContact O-OG 3.31Å; L714-I730 HydrophobicContact CD2-CB 4.34Å; L714-I730 HydrophobicContact CD2-CD1 3.65Å; L714-I730 HydrophobicContact CD2-CG2 4.09Å; L714-F744 HydrophobicContact CB-CE1 4.5Å; L714-F744 HydrophobicContact CB-CZ 4.12Å; L714-F744 HydrophobicContact CD2-CZ 4.15Å; L714-F748 WeakPolarHBondContact O-CE2 3.39Å
715G83.5Confident88.1Confident0 Ų037.4 Ų37.40%021%0.213CC..THydrogen-bonded Turntrans89.79.6171.600000114.6E692 G717 G723E692-G715 PolarHBondContact OE2-N 3.45Å; G715-G717 VanDerWaalsContact C-N 3.32Å; G715-G717 PolarHBondContact O-N 2.87Å; G715-G723 VanDerWaalsContact O-CA 3.28Å; G715-G723 WeakPolarHBondContact O-CA 3.47Å
716R81.9Confident88Confident94 Ų9437.6 Ų37.636%0.35521%0.209SC..THydrogen-bonded Turntrans-72.9-20.3178.766.5-174.1178.9-168.17.9114.6E692 E713 T718E692-R716 IonicContact OE1-NE 2.8Å; E692-R716 PolarHBondContact OE1-NE 3.35Å; E713-R716 IonicContact OE2-NH1 3.48Å; E713-R716 PolarHBondContact OE2-NH1 2.94Å; R716-T718 VanDerWaalsContact C-N 3.28Å; R716-T718 PolarHBondContact O-N 3.45Å
717G77.5Confident88.2Confident36 Ų3636.3 Ų36.337%0.37120%0.203SC..THydrogen-bonded Turntrans-82.87.8-176.700000115.5G715G715-G717 VanDerWaalsContact C-N 3.32Å; G715-G717 PolarHBondContact O-N 2.87Å
718T83.4Confident88.3Confident46 Ų4638.2 Ų38.228%0.28221%0.21SC..SBendtrans-136.9-175.4-176.3-169.70000111.1F689 R716 D722F689-T718 HydrophobicContact CD2-CG2 3.99Å; F689-T718 HydrophobicContact CE2-CG2 3.38Å; F689-T718 HydrophobicContact CZ-CG2 3.87Å; R716-T718 VanDerWaalsContact C-N 3.28Å; R716-T718 PolarHBondContact O-N 3.45Å; T718-D722 HydrophobicContact CG2-CB 4.06Å
719S85.3Confident88.3Confident57 Ų5740.3 Ų40.340%0.39923%0.227SC..  trans-57.2144.5176.189.60000110.9F721 D722 G723S719-F721 VanDerWaalsContact C-N 3.26Å; S719-F721 PolarHBondContact O-N 3.13Å; S719-D722 PolarHBondContact O-N 3.12Å; S719-D722 VanDerWaalsContact O-N 3.13Å; S719-D722 VanDerWaalsContact OG-CB 3.31Å; S719-D722 WeakPolarHBondContact OG-CB 3.19Å; S719-D722 PolarHBondContact OG-N 2.94Å; S719-D722 PolarHBondContact OG-OD2 2.75Å; S719-G723 PolarHBondContact O-N 2.78Å
720T79.8Confident88.2Confident96 Ų9641.1 Ų41.159%0.58923%0.231SC*.Hα-helixtrans-54.5-42-174-46.50000112.7L724 F748T720-L724 WeakPolarHBondContact O-CB 3.38Å; T720-L724 PolarHBondContact O-N 3.45Å; T720-F748 HydrophobicContact CG2-CE1 3.94Å
721F85.7Confident88.3Confident174 Ų17441.1 Ų41.176%0.76323%0.231SC*.Hα-helixtrans-74.3-37-179.4-67.9-68.1000112.9S719 G725S719-F721 VanDerWaalsContact C-N 3.26Å; S719-F721 PolarHBondContact O-N 3.13Å; F721-G725 PolarHBondContact O-N 3.12Å
722D87.2Confident88.4Confident95 Ų9547 Ų4751%0.50825%0.254SS..Hα-helixtrans-67.7-43.3174.9-65.2-33.7000110.6T718 S719 G725 L726T718-D722 HydrophobicContact CG2-CB 4.06Å; S719-D722 PolarHBondContact O-N 3.12Å; S719-D722 VanDerWaalsContact O-N 3.13Å; S719-D722 VanDerWaalsContact OG-CB 3.31Å; S719-D722 WeakPolarHBondContact OG-CB 3.19Å; S719-D722 PolarHBondContact OG-N 2.94Å; S719-D722 PolarHBondContact OG-OD2 2.75Å; D722-G725 PolarHBondContact O-N 3.29Å; D722-L726 WeakPolarHBondContact O-CB 3.44Å; D722-L726 VanDerWaalsContact O-CG 3.28Å; D722-L726 WeakPolarHBondContact O-CG 3.4Å; D722-L726 PolarHBondContact O-N 3.23Å
723G87.8Confident88.6Confident0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-59.6-49.717700000112.1G715 S719 L726 S727G715-G723 VanDerWaalsContact O-CA 3.28Å; G715-G723 WeakPolarHBondContact O-CA 3.47Å; S719-G723 PolarHBondContact O-N 2.78Å; G723-L726 PolarHBondContact O-N 2.85Å; G723-S727 WeakPolarHBondContact O-CB 3.44Å; G723-S727 PolarHBondContact O-N 3.24Å; G723-S727 PolarHBondContact O-OG 3.36Å
724L90.5Very high89Confident28 Ų2847.3 Ų47.315%0.14726%0.256CS..Hα-helixtrans-59.9-47.4173.4170.759.1000111.4T720 L726 S727 W728 F748 E750 L751T720-L724 WeakPolarHBondContact O-CB 3.38Å; T720-L724 PolarHBondContact O-N 3.45Å; L724-L726 VanDerWaalsContact C-N 3.32Å; L724-L726 PolarHBondContact O-N 3.38Å; L724-S727 PolarHBondContact O-N 3.36Å; L724-W728 VanDerWaalsContact O-CB 3.27Å; L724-W728 WeakPolarHBondContact O-CB 3.17Å; L724-W728 PolarHBondContact O-N 3.36Å; L724-F748 HydrophobicContact CB-CD1 4.1Å; L724-F748 HydrophobicContact CB-CD2 4.47Å; L724-F748 HydrophobicContact CB-CE1 4.21Å; L724-F748 HydrophobicContact CB-CG 4.24Å; L724-F748 HydrophobicContact CB-CZ 4.45Å; L724-F748 HydrophobicContact CD1-CB 3.88Å; L724-F748 HydrophobicContact CD1-CG 4.13Å; L724-E750 HydrophobicContact CD1-CB 3.99Å; L724-E750 HydrophobicContact CD2-CB 3.68Å; L724-E750 HydrophobicContact CD2-CG 3.91Å; L724-L751 HydrophobicContact CD1-CB 4.44Å
725G90Very high89.3Confident29 Ų2947.4 Ų47.430%0.29926%0.257SS..Hα-helixtrans-60.9-40.3-178.700000113F721 D722 A729F721-G725 PolarHBondContact O-N 3.12Å; D722-G725 PolarHBondContact O-N 3.29Å; G725-A729 WeakPolarHBondContact O-CB 3.28Å; G725-A729 PolarHBondContact O-N 3.38Å
726L91.4Very high89.8Confident64 Ų6450.1 Ų50.134%0.33528%0.276SS..Hα-helixtrans-68.2-49.4175-72.8167.6000111.3F689 M693 D722 G723 L724 W728 A729 I730F689-L726 HydrophobicContact CE2-CD1 4.22Å; F689-L726 HydrophobicContact CZ-CD1 3.81Å; M693-L726 HydrophobicContact SD-CD1 3.93Å; D722-L726 WeakPolarHBondContact O-CB 3.44Å; D722-L726 VanDerWaalsContact O-CG 3.28Å; D722-L726 WeakPolarHBondContact O-CG 3.4Å; D722-L726 PolarHBondContact O-N 3.23Å; G723-L726 PolarHBondContact O-N 2.85Å; L724-L726 VanDerWaalsContact C-N 3.32Å; L724-L726 PolarHBondContact O-N 3.38Å; L726-W728 VanDerWaalsContact C-N 3.29Å; L726-W728 PolarHBondContact O-N 3.16Å; L726-A729 PolarHBondContact O-N 3.38Å; L726-I730 WeakPolarHBondContact O-CB 3.45Å; L726-I730 WeakPolarHBondContact O-CD1 3.2Å; L726-I730 WeakPolarHBondContact O-CG1 3.38Å; L726-I730 PolarHBondContact O-N 2.89Å
727S92Very high90.4Very high0 Ų052.4 Ų52.40%028%0.284CS..Hα-helixtrans-59.6-40.5178.4-72.90000112.3L714 G723 L724 A731L714-S727 PolarHBondContact O-OG 3.31Å; G723-S727 WeakPolarHBondContact O-CB 3.44Å; G723-S727 PolarHBondContact O-N 3.24Å; G723-S727 PolarHBondContact O-OG 3.36Å; L724-S727 PolarHBondContact O-N 3.36Å; S727-A731 WeakPolarHBondContact O-CB 3.36Å; S727-A731 PolarHBondContact O-N 2.75Å
728W94.4Very high91.1Very high41 Ų4151.3 Ų51.316%0.15527%0.27CS..Hα-helixtrans-60.8-52.5172.8-173.2-72.1000111.9L724 L726 I730 A731 R732 E750 L751 M753 L754 E757L724-W728 VanDerWaalsContact O-CB 3.27Å; L724-W728 WeakPolarHBondContact O-CB 3.17Å; L724-W728 PolarHBondContact O-N 3.36Å; L726-W728 VanDerWaalsContact C-N 3.29Å; L726-W728 PolarHBondContact O-N 3.16Å; W728-I730 VanDerWaalsContact C-N 3.3Å; W728-I730 PolarHBondContact O-N 3.05Å; W728-A731 PolarHBondContact O-N 3.2Å; W728-R732 VanDerWaalsContact O-CB 3.28Å; W728-R732 WeakPolarHBondContact O-CB 2.99Å; W728-R732 PolarHBondContact O-N 2.87Å; W728-E750 WeakPolarHBondContact CZ3-O 3.35Å; W728-L751 HydrophobicContact CB-CD1 4.13Å; W728-L751 HydrophobicContact CD2-CD1 4.43Å; W728-L751 HydrophobicContact CE3-CD1 4.02Å; W728-M753 HydrophobicContact CH2-CB 3.71Å; W728-M753 HydrophobicContact CZ3-CB 3.94Å; W728-L754 HydrophobicContact CH2-CB 4.14Å; W728-L754 HydrophobicContact CZ2-CB 4.21Å; W728-L754 HydrophobicContact CZ2-CD1 3.96Å; W728-L754 HydrophobicContact CZ3-CB 4.33Å; W728-E757 HydrophobicContact CZ2-CG 4.47Å
729A94.4Very high91.6Very high44 Ų4452.8 Ų52.836%0.36427%0.274SS..Hα-helixtrans-61.2-41-177.700000111.8G725 L726 D733G725-A729 WeakPolarHBondContact O-CB 3.28Å; G725-A729 PolarHBondContact O-N 3.38Å; L726-A729 PolarHBondContact O-N 3.38Å; A729-D733 WeakPolarHBondContact O-CB 3.43Å; A729-D733 PolarHBondContact O-N 3.22Å
730I93.8Very high92.1Very high18 Ų1850.1 Ų50.19%0.09226%0.255CS..Hα-helixtrans-68.7-47.3178.9-67.5166.4000110.7A696 L700 I711 L714 L726 W728 R732 D733 I734A696-I730 HydrophobicContact CB-CD1 4.11Å; L700-I730 HydrophobicContact CD1-CG1 4.26Å; L700-I730 HydrophobicContact CD1-CG2 4.48Å; L700-I730 HydrophobicContact CD2-CG2 4.29Å; I711-I730 HydrophobicContact CD1-CG2 4.43Å; L714-I730 HydrophobicContact CD2-CB 4.34Å; L714-I730 HydrophobicContact CD2-CD1 3.65Å; L714-I730 HydrophobicContact CD2-CG2 4.09Å; L726-I730 WeakPolarHBondContact O-CB 3.45Å; L726-I730 WeakPolarHBondContact O-CD1 3.2Å; L726-I730 WeakPolarHBondContact O-CG1 3.38Å; L726-I730 PolarHBondContact O-N 2.89Å; W728-I730 VanDerWaalsContact C-N 3.3Å; W728-I730 PolarHBondContact O-N 3.05Å; I730-R732 VanDerWaalsContact C-N 3.34Å; I730-R732 PolarHBondContact O-N 3.36Å; I730-D733 PolarHBondContact O-N 2.97Å; I730-I734 HydrophobicContact CG2-CD1 3.97Å; I730-I734 WeakPolarHBondContact O-CG1 3.2Å; I730-I734 PolarHBondContact O-N 3.21Å
731A95.4Very high92.9Very high0 Ų045.7 Ų45.70%023%0.228CC..Hα-helixtrans-59.1-46.2176.100000111.3M628 S727 W728 D733 I734 A735 F744 L751 L754M628-A731 HydrophobicContact CE-CB 4.37Å; M628-A731 VanDerWaalsContact CE-O 3.24Å; M628-A731 WeakPolarHBondContact CE-O 3.42Å; M628-A731 HydrophobicContact SD-CB 4.04Å; S727-A731 WeakPolarHBondContact O-CB 3.36Å; S727-A731 PolarHBondContact O-N 2.75Å; W728-A731 PolarHBondContact O-N 3.2Å; A731-D733 PolarHBondContact O-N 3.28Å; A731-I734 PolarHBondContact O-N 2.91Å; A731-A735 WeakPolarHBondContact O-CB 3.2Å; A731-A735 PolarHBondContact O-N 3.4Å; A731-F744 HydrophobicContact CB-CD2 3.85Å; A731-F744 HydrophobicContact CB-CE2 3.75Å; A731-L751 HydrophobicContact CB-CD1 4.31Å; A731-L754 HydrophobicContact CB-CD2 3.54Å
732R96Very high93.4Very high126 Ų12637.4 Ų37.448%0.47519%0.191SC..Hα-helixtrans-60.7-43.8177.1-172.5-177.768.2172.83.9112.2W728 I730 A735 S736 L754 V758W728-R732 VanDerWaalsContact O-CB 3.28Å; W728-R732 WeakPolarHBondContact O-CB 2.99Å; W728-R732 PolarHBondContact O-N 2.87Å; I730-R732 VanDerWaalsContact C-N 3.34Å; I730-R732 PolarHBondContact O-N 3.36Å; R732-A735 PolarHBondContact O-N 2.87Å; R732-S736 VanDerWaalsContact O-CB 3.23Å; R732-S736 WeakPolarHBondContact O-CB 3.31Å; R732-S736 PolarHBondContact O-N 2.93Å; R732-S736 PolarHBondContact O-OG 3Å; R732-L754 HydrophobicContact CB-CD1 4.01Å; R732-L754 HydrophobicContact CG-CD1 4.27Å; R732-V758 HydrophobicContact CG-CG2 4.41Å
733D94.7Very high93.9Very high46 Ų4633 Ų3325%0.24617%0.168CC..Hα-helixtrans-64.6-41.6179.4-171.459.2000111.9L700 A729 I730 A731 R737 V738L700-D733 WeakPolarHBondContact CD2-OD2 3.35Å; A729-D733 WeakPolarHBondContact O-CB 3.43Å; A729-D733 PolarHBondContact O-N 3.22Å; I730-D733 PolarHBondContact O-N 2.97Å; A731-D733 PolarHBondContact O-N 3.28Å; D733-R737 WeakPolarHBondContact O-CA 3.36Å; D733-R737 VanDerWaalsContact O-CB 3.31Å; D733-R737 WeakPolarHBondContact O-CB 3.41Å; D733-R737 PolarHBondContact O-N 3.08Å; D733-R737 WeakPolarHBondContact OD1-CD 3.46Å; D733-R737 IonicContact OD1-CZ 2.72Å; D733-R737 IonicContact OD1-NE 3.49Å; D733-R737 PolarHBondContact OD1-NE 3.28Å; D733-R737 IonicContact OD1-NH2 2.64Å; D733-R737 IonicContact OD2-CZ 3.35Å; D733-R737 IonicContact OD2-NE 2.82Å; D733-R737 PolarHBondContact OD2-NE 2.95Å; D733-R737 IonicContact OD2-NH2 3.76Å; D733-R737 PolarHBondContact OD2-NH2 2.6Å; D733-V738 PolarHBondContact O-N 2.93Å
734I95.6Very high94.3Very high0 Ų033 Ų330%017%0.168CC..Iπ-helixtrans-61-48.5173.2-68.6166.8000110.8M628 L700 I709 I711 I730 A731 V738 H739 A740 C742M628-I734 HydrophobicContact CE-CB 3.75Å; M628-I734 HydrophobicContact CE-CG2 3.55Å; L700-I734 HydrophobicContact CD2-CD1 4.19Å; L700-I734 HydrophobicContact CD2-CG1 3.61Å; I709-I734 HydrophobicContact CD1-CD1 4.09Å; I709-I734 HydrophobicContact CD1-CG1 4.14Å; I709-I734 HydrophobicContact CD1-CG2 3.75Å; I709-I734 HydrophobicContact CG2-CD1 4.32Å; I711-I734 HydrophobicContact CD1-CD1 3.67Å; I730-I734 HydrophobicContact CG2-CD1 3.97Å; I730-I734 WeakPolarHBondContact O-CG1 3.2Å; I730-I734 PolarHBondContact O-N 3.21Å; A731-I734 PolarHBondContact O-N 2.91Å; I734-V738 WeakPolarHBondContact O-CB 3.26Å; I734-V738 PolarHBondContact O-N 2.91Å; I734-H739 PolarHBondContact O-N 3.26Å; I734-A740 HydrophobicContact CG2-CB 4.38Å; I734-C742 HydrophobicContact CG2-CB 3.93Å
735A95.5Very high94.5Very high1 Ų131.6 Ų31.61%0.00816%0.161CC..Iπ-helixtrans-71.9-29.5-175.400000113.9M628 A731 R732 H739 V758 V760 V761M628-A735 HydrophobicContact CE-CB 3.95Å; M628-A735 HydrophobicContact SD-CB 4.3Å; A731-A735 WeakPolarHBondContact O-CB 3.2Å; A731-A735 PolarHBondContact O-N 3.4Å; R732-A735 PolarHBondContact O-N 2.87Å; A735-H739 PolarHBondContact O-CE1 3.07Å; A735-H739 VanDerWaalsContact O-CE1 3.25Å; A735-H739 PolarHBondContact O-ND1 2.88Å; A735-H739 VanDerWaalsContact O-ND1 3.15Å; A735-V758 HydrophobicContact CB-CG1 3.92Å; A735-V760 HydrophobicContact CB-CG2 4.41Å; A735-V761 HydrophobicContact CB-CG2 3.66Å
736S93.3Very high94.5Very high57 Ų5730.3 Ų30.340%0.39915%0.147SC..Iπ-helixtrans-108.3-29.3-171-45.20000114.3R732 H739R732-S736 VanDerWaalsContact O-CB 3.23Å; R732-S736 WeakPolarHBondContact O-CB 3.31Å; R732-S736 PolarHBondContact O-N 2.93Å; R732-S736 PolarHBondContact O-OG 3Å; S736-H739 PolarHBondContact O-NE2 3.09Å
737R93.9Very high94.3Very high142 Ų14231.1 Ų31.154%0.53615%0.149SC..Iπ-helixtrans-106.1-46-178.4-177-176.862.678.5-1.1111.5L700 D733L700-R737 PolarHBondContact O-NH2 2.82Å; D733-R737 WeakPolarHBondContact O-CA 3.36Å; D733-R737 VanDerWaalsContact O-CB 3.31Å; D733-R737 WeakPolarHBondContact O-CB 3.41Å; D733-R737 PolarHBondContact O-N 3.08Å; D733-R737 WeakPolarHBondContact OD1-CD 3.46Å; D733-R737 IonicContact OD1-CZ 2.72Å; D733-R737 IonicContact OD1-NE 3.49Å; D733-R737 PolarHBondContact OD1-NE 3.28Å; D733-R737 IonicContact OD1-NH2 2.64Å; D733-R737 IonicContact OD2-CZ 3.35Å; D733-R737 IonicContact OD2-NE 2.82Å; D733-R737 PolarHBondContact OD2-NE 2.95Å; D733-R737 IonicContact OD2-NH2 3.76Å; D733-R737 PolarHBondContact OD2-NH2 2.6Å
738V93Very high94.1Very high13 Ų1331.4 Ų31.48%0.07915%0.15CC..Iπ-helixtrans-82.1-37.7-175.7-172.50000111.3A703 C705 D733 I734 A740A703-V738 HydrophobicContact CB-CG1 3.78Å; C705-V738 WeakPolarHBondContact CA-O 3.37Å; D733-V738 PolarHBondContact O-N 2.93Å; I734-V738 WeakPolarHBondContact O-CB 3.26Å; I734-V738 PolarHBondContact O-N 2.91Å; V738-A740 HydrophobicContact CG1-CB 3.81Å; V738-A740 PolarHBondContact O-N 3.5Å
739H94.7Very high93.7Very high78 Ų7832 Ų3236%0.36116%0.156SC..  trans53.840.1-173.1-69-72000112.3K623 E627 C705 I734 A735 S736K623-H739 PolarHBondContact NZ-O 3.23Å; E627-H739 IonicContact OE2-CG 3.86Å; E627-H739 IonicContact OE2-ND1 3.59Å; E627-H739 PolarHBondContact OE2-ND1 2.86Å; C705-H739 WeakPolarHBondContact CA-O 3.08Å; I734-H739 PolarHBondContact O-N 3.26Å; A735-H739 PolarHBondContact O-CE1 3.07Å; A735-H739 VanDerWaalsContact O-CE1 3.25Å; A735-H739 PolarHBondContact O-ND1 2.88Å; A735-H739 VanDerWaalsContact O-ND1 3.15Å; S736-H739 PolarHBondContact O-NE2 3.09Å
740A94.5Very high93.4Very high0 Ų032.2 Ų32.20%015%0.149CC..  trans-84.6157.717500000111K704 I709 I734 V738 C742K704-A740 WeakPolarHBondContact O-CB 3.34Å; I709-A740 HydrophobicContact CD1-CB 3.6Å; I709-A740 HydrophobicContact CG1-CB 4.13Å; I734-A740 HydrophobicContact CG2-CB 4.38Å; V738-A740 HydrophobicContact CG1-CB 3.81Å; V738-A740 PolarHBondContact O-N 3.5Å; A740-C742 PolarHBondContact O-N 3.15Å
741F96.9Very high93.2Very high3 Ų331.3 Ų31.31%0.01315%0.145CC..EExtended strand (participates in β ladder)trans-67.3132.3164.9-69.4-48000109.7G594 I596 L621 K623 E627 S707 L708 I709G594-F741 VanDerWaalsContact C-CZ 3.48Å; G594-F741 WeakPolarHBondContact O-CZ 3.34Å; I596-F741 HydrophobicContact CD1-CD2 3.68Å; I596-F741 HydrophobicContact CD1-CE2 4.04Å; I596-F741 HydrophobicContact CD1-CG 4.27Å; I596-F741 HydrophobicContact CG1-CD2 4.26Å; I596-F741 HydrophobicContact CG1-CE2 4.11Å; L621-F741 HydrophobicContact CB-CD1 3.63Å; L621-F741 HydrophobicContact CB-CE1 3.84Å; L621-F741 HydrophobicContact CB-CG 4.3Å; L621-F741 HydrophobicContact CD1-CB 4Å; L621-F741 HydrophobicContact CD1-CD1 4.27Å; L621-F741 HydrophobicContact CD1-CG 4.25Å; L621-F741 HydrophobicContact CG-CD1 4.48Å; K623-F741 HydrophobicContact CD-CE1 4.07Å; K623-F741 HydrophobicContact CD-CZ 4.15Å; K623-F741 HydrophobicContact CG-CE1 4.32Å; K623-F741 HydrophobicContact CG-CZ 4.1Å; E627-F741 CarbonylContact O-C 3.58Å; E627-F741 VanDerWaalsContact O-CA 3.31Å; E627-F741 WeakPolarHBondContact O-CA 3.38Å; S707-F741 PolarHBondContact O-N 2.81Å; L708-F741 CarbonylContact C-O 3.59Å; L708-F741 WeakPolarHBondContact CA-O 3.27Å; L708-F741 HydrophobicContact CD1-CB 3.93Å; I709-F741 PolarHBondContact N-O 3.08Å
742C97.2Very high93Very high0 Ų031.8 Ų31.80%015%0.148CC..EExtended strand (participates in β ladder)trans-141.3130-177.8-172.20000113.1E627 M628 I629 I709 I734 A740E627-C742 PolarHBondContact O-N 2.86Å; M628-C742 CarbonylContact C-O 3.46Å; M628-C742 VanDerWaalsContact CA-O 3.27Å; M628-C742 WeakPolarHBondContact CA-O 3.48Å; M628-C742 HydrophobicContact CB-CB 4.21Å; M628-C742 HydrophobicContact CE-CB 3.65Å; M628-C742 HydrophobicContact CG-CB 4.01Å; I629-C742 PolarHBondContact N-O 3.2Å; I709-C742 HydrophobicContact CB-CB 4.22Å; I709-C742 CarbonylContact O-C 3.56Å; I709-C742 VanDerWaalsContact O-CA 3.29Å; I709-C742 WeakPolarHBondContact O-CA 3.32Å; I734-C742 HydrophobicContact CG2-CB 3.93Å; A740-C742 PolarHBondContact O-N 3.15Å
743L97.3Very high92.8Very high2 Ų229.8 Ų29.81%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-106.9109.6165.3-57.4-176000108.2L619 L621 I629 L643 A646 I709 L710 I711L619-L743 HydrophobicContact CD1-CD2 3.81Å; L619-L743 HydrophobicContact CD2-CD1 4.3Å; L621-L743 HydrophobicContact CD1-CD2 4.16Å; L621-L743 HydrophobicContact CD2-CD2 4.22Å; I629-L743 HydrophobicContact CB-CD2 3.91Å; I629-L743 HydrophobicContact CD1-CD2 4.06Å; I629-L743 HydrophobicContact CG1-CD2 4.33Å; L643-L743 HydrophobicContact CD1-CB 4.09Å; L643-L743 HydrophobicContact CD2-CB 4.45Å; L643-L743 HydrophobicContact CG-CB 3.8Å; L643-L743 HydrophobicContact CG-CD1 4.4Å; A646-L743 HydrophobicContact CB-CD1 3.62Å; I709-L743 PolarHBondContact O-N 3.04Å; L710-L743 HydrophobicContact CD2-CB 3.87Å; L710-L743 HydrophobicContact CD2-CD1 3.79Å; L710-L743 HydrophobicContact CD2-CG 3.97Å; I711-L743 PolarHBondContact N-O 3.09Å
744F96.3Very high92.7Very high0 Ų027.6 Ų27.60%013%0.133CC..EExtended strand (participates in β ladder)trans-110.394.2-176.2-157.6-56.2000109.7I629 V630 L631 I711 L714 A731 L751I629-F744 PolarHBondContact O-N 3.34Å; V630-F744 CarbonylContact C-O 3.59Å; V630-F744 WeakPolarHBondContact CA-O 3.27Å; L631-F744 PolarHBondContact N-O 3.08Å; I711-F744 HydrophobicContact CB-CD1 4.48Å; I711-F744 HydrophobicContact CB-CD2 4.04Å; I711-F744 HydrophobicContact CB-CE2 4.19Å; I711-F744 HydrophobicContact CB-CG 4.19Å; I711-F744 HydrophobicContact CB-CZ 4.47Å; I711-F744 HydrophobicContact CD1-CD2 3.77Å; I711-F744 HydrophobicContact CD1-CE2 3.68Å; I711-F744 HydrophobicContact CG1-CD2 4.48Å; I711-F744 HydrophobicContact CG2-CD1 4.16Å; I711-F744 HydrophobicContact CG2-CD2 4.12Å; I711-F744 HydrophobicContact CG2-CE1 3.85Å; I711-F744 HydrophobicContact CG2-CE2 3.81Å; I711-F744 HydrophobicContact CG2-CG 4.29Å; I711-F744 HydrophobicContact CG2-CZ 3.67Å; I711-F744 CarbonylContact O-C 3.53Å; L714-F744 HydrophobicContact CB-CE1 4.5Å; L714-F744 HydrophobicContact CB-CZ 4.12Å; L714-F744 HydrophobicContact CD2-CZ 4.15Å; A731-F744 HydrophobicContact CB-CD2 3.85Å; A731-F744 HydrophobicContact CB-CE2 3.75Å; F744-L751 HydrophobicContact CD1-CD2 3.71Å; F744-L751 HydrophobicContact CE1-CD2 3.57Å; F744-L751 HydrophobicContact CG-CD2 4.38Å; F744-L751 HydrophobicContact CZ-CD2 4.13Å
745A93.9Very high92.6Very high0 Ų028.6 Ų28.60%014%0.141CC..EExtended strand (participates in β ladder)trans-78.8125.6171.900000110.6L631 K639 L643 I711 E713L631-A745 WeakPolarHBondContact O-CA 3.46Å; K639-A745 HydrophobicContact CB-CB 4.1Å; K639-A745 HydrophobicContact CD-CB 4.48Å; L643-A745 HydrophobicContact CD1-CB 3.92Å; L643-A745 HydrophobicContact CD2-CB 3.89Å; I711-A745 PolarHBondContact O-N 2.82Å; E713-A745 PolarHBondContact N-O 2.78Å
746S90.9Very high92.4Very high1 Ų135 Ų351%0.00718%0.175CC..  trans-137.9149.1-175.5-173.10000112.3L631 F748L631-S746 PolarHBondContact O-N 2.95Å; S746-F748 WeakPolarHBondContact OG-CB 2.9Å; S746-F748 PolarHBondContact OG-N 3.46Å
747H86.5Confident92.2Very high81 Ų8137.3 Ų37.338%0.37518%0.18SC..SBendtrans-92.9-13.6166.764.1-85.1000112.2L749H747-L749 PolarHBondContact O-N 2.85Å
748F87.4Confident92.2Very high7 Ų731.5 Ų31.53%0.03116%0.16CC..  trans-79.3107.5175.1-56.6-63.6000110.2L714 T720 L724 S746 E750 L751L714-F748 WeakPolarHBondContact O-CE2 3.39Å; T720-F748 HydrophobicContact CG2-CE1 3.94Å; L724-F748 HydrophobicContact CB-CD1 4.1Å; L724-F748 HydrophobicContact CB-CD2 4.47Å; L724-F748 HydrophobicContact CB-CE1 4.21Å; L724-F748 HydrophobicContact CB-CG 4.24Å; L724-F748 HydrophobicContact CB-CZ 4.45Å; L724-F748 HydrophobicContact CD1-CB 3.88Å; L724-F748 HydrophobicContact CD1-CG 4.13Å; S746-F748 WeakPolarHBondContact OG-CB 2.9Å; S746-F748 PolarHBondContact OG-N 3.46Å; F748-E750 PolarHBondContact O-N 3.35Å; F748-L751 HydrophobicContact CB-CB 4.34Å; F748-L751 WeakPolarHBondContact O-CB 3.47Å; F748-L751 PolarHBondContact O-N 2.98Å
749L86.3Confident92.3Very high54 Ų5437.3 Ų37.328%0.28319%0.191SC..G310 helixtrans-65.2-30.4175.9-68.6175.1000111.4T632 H747 L751 T752 C786T632-L749 HydrophobicContact CG2-CD2 4.27Å; H747-L749 PolarHBondContact O-N 2.85Å; L749-L751 PolarHBondContact O-N 2.88Å; L749-T752 VanDerWaalsContact O-CB 3.32Å; L749-T752 WeakPolarHBondContact O-CB 3.4Å; L749-T752 WeakPolarHBondContact O-CG2 3.42Å; L749-T752 PolarHBondContact O-N 3.28Å; L749-T752 PolarHBondContact O-OG1 2.94Å; L749-C786 HydrophobicContact CD2-CB 4.45Å
750E87.3Confident92.4Very high47 Ų4734.4 Ų34.422%0.2218%0.179CC..G310 helixtrans-59.5-33.8179-59.179.3-17700111.4L724 W728 F748 T752 M753 R819L724-E750 HydrophobicContact CD1-CB 3.99Å; L724-E750 HydrophobicContact CD2-CB 3.68Å; L724-E750 HydrophobicContact CD2-CG 3.91Å; W728-E750 WeakPolarHBondContact CZ3-O 3.35Å; F748-E750 PolarHBondContact O-N 3.35Å; E750-T752 PolarHBondContact O-N 3.39Å; E750-M753 WeakPolarHBondContact O-CB 3.28Å; E750-M753 WeakPolarHBondContact O-CG 3.4Å; E750-M753 PolarHBondContact O-N 3.4Å; E750-R819 IonicContact OE1-CZ 3.28Å; E750-R819 IonicContact OE1-NH1 3.08Å; E750-R819 PolarHBondContact OE1-NH1 3.14Å; E750-R819 IonicContact OE1-NH2 3.44Å; E750-R819 PolarHBondContact OE1-NH2 2.78Å
751L90.5Very high92.5Very high0 Ų034.4 Ų34.40%018%0.179CC..G310 helixtrans-58.9-22.6178.6-170.464.2000112.6V630 L724 W728 A731 F744 F748 L749 M753 L754V630-L751 HydrophobicContact CG1-CD2 4.21Å; V630-L751 HydrophobicContact CG1-CG 4.21Å; L724-L751 HydrophobicContact CD1-CB 4.44Å; W728-L751 HydrophobicContact CB-CD1 4.13Å; W728-L751 HydrophobicContact CD2-CD1 4.43Å; W728-L751 HydrophobicContact CE3-CD1 4.02Å; A731-L751 HydrophobicContact CB-CD1 4.31Å; F744-L751 HydrophobicContact CD1-CD2 3.71Å; F744-L751 HydrophobicContact CE1-CD2 3.57Å; F744-L751 HydrophobicContact CG-CD2 4.38Å; F744-L751 HydrophobicContact CZ-CD2 4.13Å; F748-L751 HydrophobicContact CB-CB 4.34Å; F748-L751 WeakPolarHBondContact O-CB 3.47Å; F748-L751 PolarHBondContact O-N 2.98Å; L749-L751 PolarHBondContact O-N 2.88Å; L751-M753 PolarHBondContact O-N 3.46Å; L751-L754 HydrophobicContact CD1-CD2 4.48Å; L751-L754 WeakPolarHBondContact O-CB 3.27Å; L751-L754 PolarHBondContact O-N 2.98Å; L751-L754 VanDerWaalsContact O-N 3.07Å
752T91.5Very high92.5Very high9 Ų938 Ų386%0.05519%0.194CC..G310 helixtrans-64.2-22.5176.164.60000113.1V630 T632 L749 E750 L754 A755 N763 I785V630-T752 HydrophobicContact CG1-CG2 4.28Å; T632-T752 HydrophobicContact CG2-CG2 3.6Å; L749-T752 VanDerWaalsContact O-CB 3.32Å; L749-T752 WeakPolarHBondContact O-CB 3.4Å; L749-T752 WeakPolarHBondContact O-CG2 3.42Å; L749-T752 PolarHBondContact O-N 3.28Å; L749-T752 PolarHBondContact O-OG1 2.94Å; E750-T752 PolarHBondContact O-N 3.39Å; T752-L754 PolarHBondContact O-N 2.83Å; T752-A755 WeakPolarHBondContact O-CB 3.44Å; T752-A755 PolarHBondContact O-N 3.24Å; T752-N763 VanDerWaalsContact CA-OD1 3.27Å; T752-N763 WeakPolarHBondContact CA-OD1 3.31Å; T752-N763 WeakPolarHBondContact CB-OD1 3.43Å; T752-N763 PolarHBondContact O-ND2 2.82Å; T752-N763 PolarHBondContact O-OD1 3.32Å; T752-I785 HydrophobicContact CG2-CG1 4.15Å; T752-I785 HydrophobicContact CG2-CG2 4.06Å
753M91.6Very high92.5Very high85 Ų8539 Ų3942%0.41920%0.2SC..G310 helixtrans-66.7-16174.2-63176.962.300112.6W728 E750 L751 A755 D756W728-M753 HydrophobicContact CH2-CB 3.71Å; W728-M753 HydrophobicContact CZ3-CB 3.94Å; E750-M753 WeakPolarHBondContact O-CB 3.28Å; E750-M753 WeakPolarHBondContact O-CG 3.4Å; E750-M753 PolarHBondContact O-N 3.4Å; L751-M753 PolarHBondContact O-N 3.46Å; M753-A755 PolarHBondContact O-N 2.9Å; M753-D756 WeakPolarHBondContact O-CB 3.35Å; M753-D756 PolarHBondContact O-N 3.28Å
754L92.8Very high92.5Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-61.6-27.9175.7-176.264.4000112.2W728 A731 R732 L751 T752 D756 E757 V758 V761W728-L754 HydrophobicContact CH2-CB 4.14Å; W728-L754 HydrophobicContact CZ2-CB 4.21Å; W728-L754 HydrophobicContact CZ2-CD1 3.96Å; W728-L754 HydrophobicContact CZ3-CB 4.33Å; A731-L754 HydrophobicContact CB-CD2 3.54Å; R732-L754 HydrophobicContact CB-CD1 4.01Å; R732-L754 HydrophobicContact CG-CD1 4.27Å; L751-L754 HydrophobicContact CD1-CD2 4.48Å; L751-L754 WeakPolarHBondContact O-CB 3.27Å; L751-L754 PolarHBondContact O-N 2.98Å; L751-L754 VanDerWaalsContact O-N 3.07Å; T752-L754 PolarHBondContact O-N 2.83Å; L754-D756 PolarHBondContact O-N 3.47Å; L754-E757 PolarHBondContact O-N 3.03Å; L754-E757 VanDerWaalsContact O-N 3.08Å; L754-V758 HydrophobicContact CD1-CG2 4.01Å; L754-V758 PolarHBondContact O-N 3.23Å; L754-V761 HydrophobicContact CD2-CG1 4.43Å; L754-V761 HydrophobicContact CD2-CG2 4.36Å; L754-V761 HydrophobicContact CG-CG1 4.37Å; L754-V761 HydrophobicContact CG-CG2 4.33Å
755A92.8Very high92.4Very high21 Ų2143.6 Ų43.617%0.17422%0.218CC..Hα-helixtrans-64.7-20.7175.200000113.4T752 M753 V761 N763T752-A755 WeakPolarHBondContact O-CB 3.44Å; T752-A755 PolarHBondContact O-N 3.24Å; M753-A755 PolarHBondContact O-N 2.9Å; A755-V761 HydrophobicContact CB-CG1 4.26Å; A755-V761 VanDerWaalsContact CB-O 3.31Å; A755-V761 WeakPolarHBondContact CB-O 3.41Å; A755-N763 VanDerWaalsContact CB-ND2 3.33Å; A755-N763 WeakPolarHBondContact CB-ND2 3.27Å
756D90.7Very high92.4Very high135 Ų13543.7 Ų43.772%0.72222%0.219SC*.Hα-helixtrans-82.9-20.2174.8-59.6-31.8000111.9M753 L754M753-D756 WeakPolarHBondContact O-CB 3.35Å; M753-D756 PolarHBondContact O-N 3.28Å; L754-D756 PolarHBondContact O-N 3.47Å
757E91.1Very high92.4Very high105 Ų10548.8 Ų48.849%0.49124%0.238SC..Hα-helixtrans-97.3-31.2-179.4-70-172-171.300113.5W728 L754W728-E757 HydrophobicContact CZ2-CG 4.47Å; L754-E757 PolarHBondContact O-N 3.03Å; L754-E757 VanDerWaalsContact O-N 3.08Å
758V93.6Very high92.4Very high20 Ų2045.9 Ų45.912%0.12123%0.228CC..  trans-128.9107.5-174-174.70000110R732 A735 L754 V760 V761R732-V758 HydrophobicContact CG-CG2 4.41Å; A735-V758 HydrophobicContact CB-CG1 3.92Å; L754-V758 HydrophobicContact CD1-CG2 4.01Å; L754-V758 PolarHBondContact O-N 3.23Å; V758-V760 HydrophobicContact CG1-CG2 3.82Å; V758-V760 PolarHBondContact O-N 3.25Å; V758-V761 HydrophobicContact CB-CB 4.48Å; V758-V761 HydrophobicContact CB-CG2 3.78Å; V758-V761 HydrophobicContact CG1-CG2 3.86Å; V758-V761 WeakPolarHBondContact O-CB 3.28Å; V758-V761 PolarHBondContact O-N 3.38Å
759D94.1Very high92.4Very high135 Ų13548.5 Ų48.572%0.72224%0.244SC*.THydrogen-bonded Turntrans-54-32.9-170.4-70.9-27000114.8V761 K762D759-V761 VanDerWaalsContact C-N 3.26Å; D759-V761 PolarHBondContact O-N 2.8Å; D759-K762 PolarHBondContact O-NZ 3.07Å
760V96.5Very high92.2Very high18 Ų1850 Ų5011%0.10925%0.249CC..THydrogen-bonded Turntrans-79.8-3.8-178.3-61.20000114D625 E627 M628 A735 V758D625-V760 WeakPolarHBondContact O-CA 3.35Å; E627-V760 HydrophobicContact CB-CB 3.92Å; E627-V760 HydrophobicContact CB-CG2 4.1Å; E627-V760 HydrophobicContact CG-CB 3.91Å; E627-V760 HydrophobicContact CG-CG1 4.13Å; E627-V760 HydrophobicContact CG-CG2 4.37Å; E627-V760 PolarHBondContact N-O 2.98Å; M628-V760 PolarHBondContact N-O 2.97Å; M628-V760 VanDerWaalsContact N-O 3.12Å; A735-V760 HydrophobicContact CB-CG2 4.41Å; V758-V760 HydrophobicContact CG1-CG2 3.82Å; V758-V760 PolarHBondContact O-N 3.25Å
761V97.4Very high91.8Very high0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-94.5124.2177.1-178.80000109M628 V630 A735 L754 A755 V758 D759M628-V761 HydrophobicContact CB-CG2 4.09Å; M628-V761 HydrophobicContact CG-CG1 4.37Å; M628-V761 HydrophobicContact CG-CG2 4.43Å; M628-V761 WeakPolarHBondContact O-CA 3.5Å; M628-V761 HydrophobicContact SD-CG1 4.37Å; M628-V761 HydrophobicContact SD-CG2 4.1Å; V630-V761 HydrophobicContact CG2-CG1 3.72Å; A735-V761 HydrophobicContact CB-CG2 3.66Å; L754-V761 HydrophobicContact CD2-CG1 4.43Å; L754-V761 HydrophobicContact CD2-CG2 4.36Å; L754-V761 HydrophobicContact CG-CG1 4.37Å; L754-V761 HydrophobicContact CG-CG2 4.33Å; A755-V761 HydrophobicContact CB-CG1 4.26Å; A755-V761 VanDerWaalsContact CB-O 3.31Å; A755-V761 WeakPolarHBondContact CB-O 3.41Å; V758-V761 HydrophobicContact CB-CB 4.48Å; V758-V761 HydrophobicContact CB-CG2 3.78Å; V758-V761 HydrophobicContact CG1-CG2 3.86Å; V758-V761 WeakPolarHBondContact O-CB 3.28Å; V758-V761 PolarHBondContact O-N 3.38Å; D759-V761 VanDerWaalsContact C-N 3.26Å; D759-V761 PolarHBondContact O-N 2.8Å
762K97.3Very high91.2Very high77 Ų7754 Ų5434%0.33530%0.297SS..EExtended strand (participates in β ladder)trans-121.2145.2176.4-56.5-57.8-177.9-152.80111.4D625 T626 M628 I629 V630 D759 F764D625-K762 WeakPolarHBondContact O-CE 3.42Å; T626-K762 HydrophobicContact CG2-CB 4.02Å; T626-K762 HydrophobicContact CG2-CG 3.7Å; T626-K762 WeakPolarHBondContact OG1-CG 3.21Å; M628-K762 PolarHBondContact O-N 3.41Å; I629-K762 WeakPolarHBondContact CA-O 3.49Å; V630-K762 PolarHBondContact N-O 3.07Å; D759-K762 PolarHBondContact O-NZ 3.07Å; K762-F764 HydrophobicContact CB-CD2 4.42Å; K762-F764 HydrophobicContact CB-CE2 4Å
763N97Very high90.2Very high22 Ų2259.3 Ų59.312%0.11833%0.325CS..EExtended strand (participates in β ladder)trans-91.8134.5178.1-68.4-44.1000111.7T752 A755 G784 I785T752-N763 VanDerWaalsContact CA-OD1 3.27Å; T752-N763 WeakPolarHBondContact CA-OD1 3.31Å; T752-N763 WeakPolarHBondContact CB-OD1 3.43Å; T752-N763 PolarHBondContact O-ND2 2.82Å; T752-N763 PolarHBondContact O-OD1 3.32Å; A755-N763 VanDerWaalsContact CB-ND2 3.33Å; A755-N763 WeakPolarHBondContact CB-ND2 3.27Å; N763-G784 CarbonylContact C-O 3.3Å; N763-G784 WeakPolarHBondContact CB-O 3.48Å; N763-G784 PolarHBondContact O-N 3.05Å; N763-I785 HydrophobicContact CB-CG1 3.83Å
764F96.5Very high89.4Confident42 Ų4261.1 Ų61.118%0.18433%0.332CS..EExtended strand (participates in β ladder)trans-132.8160.2170.4-75.4-107.2000110I629 V630 L631 T632 K762 V781 L782 P783 G784I629-F764 HydrophobicContact CB-CD2 4.3Å; I629-F764 HydrophobicContact CD1-CD2 4.07Å; I629-F764 HydrophobicContact CD1-CE2 3.93Å; I629-F764 HydrophobicContact CD1-CZ 4.35Å; I629-F764 HydrophobicContact CG1-CD2 3.91Å; I629-F764 HydrophobicContact CG1-CE2 3.93Å; I629-F764 HydrophobicContact CG2-CB 3.78Å; I629-F764 HydrophobicContact CG2-CD2 3.58Å; I629-F764 HydrophobicContact CG2-CE2 4.45Å; I629-F764 HydrophobicContact CG2-CG 3.89Å; V630-F764 PolarHBondContact O-N 3.34Å; V630-F764 VanDerWaalsContact O-O 3.11Å; L631-F764 WeakPolarHBondContact CA-O 3.46Å; L631-F764 HydrophobicContact CD1-CB 3.98Å; T632-F764 PolarHBondContact N-O 3.41Å; T632-F764 PolarHBondContact OG1-O 3Å; K762-F764 HydrophobicContact CB-CD2 4.42Å; K762-F764 HydrophobicContact CB-CE2 4Å; F764-V781 HydrophobicContact CB-CG1 4.15Å; F764-V781 HydrophobicContact CD1-CG1 3.7Å; F764-V781 HydrophobicContact CG-CG1 4.34Å; F764-L782 CarbonylContact C-O 3.46Å; F764-L782 VanDerWaalsContact CA-O 3.26Å; F764-L782 WeakPolarHBondContact CA-O 3.43Å; F764-L782 WeakPolarHBondContact CD1-O 3.39Å; F764-P783 HydrophobicContact CD1-CB 4.33Å; F764-P783 HydrophobicContact CE1-CB 4.03Å; F764-P783 HydrophobicContact CZ-CB 4.28Å; F764-G784 CarbonylContact C-O 3.49Å; F764-G784 VanDerWaalsContact C-O 3.3Å; F764-G784 VanDerWaalsContact CA-O 3.32Å; F764-G784 WeakPolarHBondContact CA-O 3.37Å; F764-G784 PolarHBondContact N-O 3.25Å
765Y94.6Very high88.8Confident56 Ų5661.3 Ų61.322%0.2233%0.333CS..EExtended strand (participates in β ladder)trans-142.4153176.974.7-75.9000113.5T632 R767 L782 P783 C786T632-Y765 CarbonylContact O-C 3.55Å; T632-Y765 WeakPolarHBondContact O-CA 3.28Å; Y765-R767 HydrophobicContact CE2-CB 4.46Å; Y765-L782 HydrophobicContact CD1-CB 4.19Å; Y765-L782 WeakPolarHBondContact CD1-O 3.31Å; Y765-L782 HydrophobicContact CE1-CB 3.59Å; Y765-L782 PolarHBondContact N-O 3.1Å; Y765-L782 PolarHBondContact O-N 3.32Å; Y765-P783 WeakPolarHBondContact CE1-O 3.33Å; Y765-C786 HydrophobicContact CD2-CB 4.31Å; Y765-C786 HydrophobicContact CG-CB 4.37Å
766M93.2Very high88.4Confident3 Ų362.6 Ų62.62%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-79.7120.3169.1-60.1-53.4-63.800109.9L631 T632 G637 K639 A768 V781L631-M766 HydrophobicContact CD1-CG 4.42Å; L631-M766 HydrophobicContact CD1-SD 4.09Å; L631-M766 HydrophobicContact CD2-SD 4.19Å; T632-M766 PolarHBondContact O-N 2.83Å; G637-M766 WeakPolarHBondContact O-CE 3.49Å; K639-M766 HydrophobicContact CG-CG 3.64Å; M766-A768 PolarHBondContact O-N 3.35Å; M766-V781 HydrophobicContact CE-CG2 3.95Å; M766-V781 HydrophobicContact SD-CG2 3.46Å; M766-V781 WeakPolarHBondContact SD-CG2 3.18Å
767R91.5Very high88.2Confident108 Ų10857.6 Ų57.641%0.40831%0.312SS..EExtended strand (participates in β ladder)trans-69.5127-179.5-164.6-173.1-175.6171.12.9111.4Y765 L778 Q780 L782Y765-R767 HydrophobicContact CE2-CB 4.46Å; R767-L778 HydrophobicContact CB-CB 4.38Å; R767-L778 HydrophobicContact CG-CD1 3.92Å; R767-L778 PolarHBondContact O-N 3.43Å; R767-L778 VanDerWaalsContact O-N 3.1Å; R767-Q780 HydrophobicContact CB-CB 4.14Å; R767-Q780 WeakPolarHBondContact CB-O 3.09Å; R767-Q780 PolarHBondContact N-O 2.93Å; R767-L782 HydrophobicContact CB-CD1 4.19Å; R767-L782 HydrophobicContact CG-CD1 4.07Å
768A87.2Confident88.2Confident19 Ų1955.1 Ų55.116%0.15730%0.302CS..EExtended strand (participates in β ladder)trans-129.7151.6166.600000110P634 M766 L775 V776 L777 F790P634-A768 HydrophobicContact CG-CB 3.92Å; M766-A768 PolarHBondContact O-N 3.35Å; A768-L775 HydrophobicContact CB-CD1 3.81Å; A768-V776 WeakPolarHBondContact CA-O 3.2Å; A768-L777 HydrophobicContact CB-CD2 4.05Å; A768-F790 HydrophobicContact CB-CE1 4.4Å; A768-F790 HydrophobicContact CB-CE2 4.06Å; A768-F790 HydrophobicContact CB-CZ 3.98Å
769T86.5Confident88.1Confident62 Ų6259 Ų5938%0.3832%0.315SS..EExtended strand (participates in β ladder)trans-135.9166.5178.2-169.50000110V776 L778T769-V776 HydrophobicContact CG2-CB 3.94Å; T769-V776 HydrophobicContact CG2-CG1 4.41Å; T769-V776 PolarHBondContact N-O 2.86Å; T769-V776 PolarHBondContact O-N 3.09Å; T769-L778 HydrophobicContact CG2-CD1 3.89Å; T769-L778 HydrophobicContact CG2-CD2 4.17Å; T769-L778 HydrophobicContact CG2-CG 4.08Å
770F81.8Confident88.1Confident87 Ų8756 Ų5638%0.38230%0.297SS..EExtended strand (participates in β ladder)trans-101137.5169.9-71-77000111Q774 L775 F790 N793F770-Q774 WeakPolarHBondContact CA-O 3.49Å; F770-L775 HydrophobicContact CE1-CB 4.15Å; F770-L775 HydrophobicContact CE1-CD1 4.08Å; F770-L775 HydrophobicContact CZ-CD1 4.07Å; F770-F790 HydrophobicContact CE2-CD1 4.21Å; F770-F790 AromaticContact CE2-CE1 3.83Å; F770-F790 HydrophobicContact CE2-CE1 3.83Å; F770-F790 AromaticContact CZ-CD1 3.93Å; F770-F790 HydrophobicContact CZ-CD1 3.93Å; F770-F790 HydrophobicContact CZ-CE1 4.03Å; F770-N793 HydrophobicContact CE1-CB 3.96Å; F770-N793 WeakPolarHBondContact CE1-ND2 3.45Å; F770-N793 HydrophobicContact CZ-CB 4.08Å; F770-N793 VanDerWaalsContact CZ-CG 3.47Å; F770-N793 WeakPolarHBondContact CZ-ND2 3.3Å
771A80.1Confident88Confident60 Ų6056 Ų5650%0.49630%0.297SS..EExtended strand (participates in β ladder)trans-114.391163.300000107.4D773 Q774 V776A771-D773 PolarHBondContact O-N 2.88Å; A771-Q774 PolarHBondContact N-O 3.04Å; A771-Q774 PolarHBondContact O-N 3.07Å; A771-V776 HydrophobicContact CB-CG2 3.73Å
772G77.2Confident87.9Confident70 Ų7058.5 Ų58.572%0.72231%0.309SS*.THydrogen-bonded Turntrans67.6-126.3-164.700000110.5
773D71.1Confident87.8Confident121 Ų12159.3 Ų59.365%0.64732%0.323SS*.THydrogen-bonded Turntrans-87.1-6.1175.3-74.3-56.6000113.9A771 R796A771-D773 PolarHBondContact O-N 2.88Å; D773-R796 IonicContact OD1-NH1 2.63Å; D773-R796 PolarHBondContact OD1-NH1 3.34Å
774Q74.3Confident87.5Confident122 Ų12259.8 Ų59.857%0.5733%0.333SS*.EExtended strand (participates in β ladder)trans-88126-175.7-170.4176-2.700111.2F770 A771 V776F770-Q774 WeakPolarHBondContact CA-O 3.49Å; A771-Q774 PolarHBondContact N-O 3.04Å; A771-Q774 PolarHBondContact O-N 3.07Å; Q774-V776 PolarHBondContact O-N 2.82Å
775L80.4Confident87.1Confident4 Ų461.4 Ų61.42%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-72.3122.5170.5-179.871.1000109.6A768 F770 L777 F790 N793 V794 M797A768-L775 HydrophobicContact CB-CD1 3.81Å; F770-L775 HydrophobicContact CE1-CB 4.15Å; F770-L775 HydrophobicContact CE1-CD1 4.08Å; F770-L775 HydrophobicContact CZ-CD1 4.07Å; L775-L777 HydrophobicContact CD2-CD2 4.13Å; L775-L777 HydrophobicContact CG-CD2 4.25Å; L775-F790 HydrophobicContact CD1-CB 4.48Å; L775-F790 HydrophobicContact CD1-CD1 3.53Å; L775-F790 HydrophobicContact CD1-CE1 3.89Å; L775-F790 HydrophobicContact CD1-CG 4.09Å; L775-F790 HydrophobicContact CD2-CB 4.07Å; L775-F790 HydrophobicContact CD2-CG 4.5Å; L775-N793 HydrophobicContact CB-CB 4.43Å; L775-V794 HydrophobicContact CD2-CG2 3.66Å; L775-M797 HydrophobicContact CB-CG 4.47Å; L775-M797 HydrophobicContact CB-SD 3.73Å; L775-M797 HydrophobicContact CD2-SD 4.18Å; L775-M797 HydrophobicContact CG-SD 4.39Å
776V85Confident86.3Confident49 Ų4959.2 Ų59.230%0.29734%0.335SS..EExtended strand (participates in β ladder)trans-111.2117.1176.2-178.60000108.5A768 T769 A771 Q774 L778A768-V776 WeakPolarHBondContact CA-O 3.2Å; T769-V776 HydrophobicContact CG2-CB 3.94Å; T769-V776 HydrophobicContact CG2-CG1 4.41Å; T769-V776 PolarHBondContact N-O 2.86Å; T769-V776 PolarHBondContact O-N 3.09Å; A771-V776 HydrophobicContact CB-CG2 3.73Å; Q774-V776 PolarHBondContact O-N 2.82Å; V776-L778 HydrophobicContact CG1-CD2 4.04Å
777L86.1Confident85.2Confident30 Ų3066.5 Ų66.516%0.15737%0.374CS..EExtended strand (participates in β ladder)trans-83.9118.9176-56.7176.2000108.8P634 M636 A768 L775 Y779P634-L777 HydrophobicContact CB-CD2 4.09Å; P634-L777 HydrophobicContact CG-CD2 3.58Å; M636-L777 HydrophobicContact CB-CD1 3.88Å; A768-L777 HydrophobicContact CB-CD2 4.05Å; L775-L777 HydrophobicContact CD2-CD2 4.13Å; L775-L777 HydrophobicContact CG-CD2 4.25Å; L777-Y779 HydrophobicContact CB-CD1 4.49Å; L777-Y779 HydrophobicContact CB-CE1 4Å; L777-Y779 HydrophobicContact CB-CE2 4.31Å; L777-Y779 HydrophobicContact CD1-CE1 4.37Å; L777-Y779 WeakPolarHBondContact O-CE2 3.33Å
778L90.6Very high84.2Confident53 Ų5370 Ų7028%0.27739%0.387SS..EExtended strand (participates in β ladder)trans-91.7-9-176.5-62.9177.8000112.9R767 T769 V776 Q780R767-L778 HydrophobicContact CB-CB 4.38Å; R767-L778 HydrophobicContact CG-CD1 3.92Å; R767-L778 PolarHBondContact O-N 3.43Å; R767-L778 VanDerWaalsContact O-N 3.1Å; T769-L778 HydrophobicContact CG2-CD1 3.89Å; T769-L778 HydrophobicContact CG2-CD2 4.17Å; T769-L778 HydrophobicContact CG2-CG 4.08Å; V776-L778 HydrophobicContact CG1-CD2 4.04Å; L778-Q780 PolarHBondContact O-N 2.98Å; L778-Q780 VanDerWaalsContact O-N 3.09Å
779Y91.3Very high83.4Confident100 Ų10071.5 Ų71.539%0.39240%0.397SS..EExtended strand (participates in β ladder)trans54.226.2179.6-51.7-70000114.3I615 N617 M636 G637 L777I615-Y779 HydrophobicContact CG1-CD2 4.38Å; N617-Y779 PolarHBondContact ND2-O 3.47Å; N617-Y779 PolarHBondContact OD1-O 2.92Å; M636-Y779 WeakPolarHBondContact O-CE1 3.4Å; G637-Y779 WeakPolarHBondContact O-CD1 3.06Å; L777-Y779 HydrophobicContact CB-CD1 4.49Å; L777-Y779 HydrophobicContact CB-CE1 4Å; L777-Y779 HydrophobicContact CB-CE2 4.31Å; L777-Y779 HydrophobicContact CD1-CE1 4.37Å; L777-Y779 WeakPolarHBondContact O-CE2 3.33Å
780Q93.5Very high83Confident73 Ų7369.9 Ų69.934%0.34139%0.385SS..EExtended strand (participates in β ladder)trans-102.6131.1177.1-71.3177.9-14.500110.2I615 N617 R767 L778I615-Q780 HydrophobicContact CG2-CG 3.94Å; N617-Q780 WeakPolarHBondContact OD1-CA 3.49Å; R767-Q780 HydrophobicContact CB-CB 4.14Å; R767-Q780 WeakPolarHBondContact CB-O 3.09Å; R767-Q780 PolarHBondContact N-O 2.93Å; L778-Q780 PolarHBondContact O-N 2.98Å; L778-Q780 VanDerWaalsContact O-N 3.09Å
781V95.3Very high82.9Confident18 Ų1868.2 Ų68.211%0.10939%0.392CS..EExtended strand (participates in β ladder)trans-88.3122.8172.3176.60000108.6N617 L631 Y642 F764 M766N617-V781 HydrophobicContact CB-CB 4.5Å; N617-V781 HydrophobicContact CB-CG2 4.27Å; N617-V781 PolarHBondContact OD1-N 3.49Å; L631-V781 HydrophobicContact CD1-CG1 4.27Å; Y642-V781 HydrophobicContact CD1-CG2 4.2Å; Y642-V781 HydrophobicContact CD2-CG2 3.65Å; Y642-V781 HydrophobicContact CE1-CG1 4.35Å; Y642-V781 HydrophobicContact CE1-CG2 4.34Å; Y642-V781 HydrophobicContact CE2-CB 4.33Å; Y642-V781 HydrophobicContact CE2-CG1 4.45Å; Y642-V781 HydrophobicContact CE2-CG2 3.81Å; Y642-V781 HydrophobicContact CG-CG2 3.82Å; F764-V781 HydrophobicContact CB-CG1 4.15Å; F764-V781 HydrophobicContact CD1-CG1 3.7Å; F764-V781 HydrophobicContact CG-CG1 4.34Å; M766-V781 HydrophobicContact CE-CG2 3.95Å; M766-V781 HydrophobicContact SD-CG2 3.46Å; M766-V781 WeakPolarHBondContact SD-CG2 3.18Å
782L94.7Very high83Confident52 Ų5266.4 Ų66.427%0.27237%0.374SS..EExtended strand (participates in β ladder)trans-125.2148.7178.7-67.4-179.2000111F764 Y765 R767F764-L782 CarbonylContact C-O 3.46Å; F764-L782 VanDerWaalsContact CA-O 3.26Å; F764-L782 WeakPolarHBondContact CA-O 3.43Å; F764-L782 WeakPolarHBondContact CD1-O 3.39Å; Y765-L782 HydrophobicContact CD1-CB 4.19Å; Y765-L782 WeakPolarHBondContact CD1-O 3.31Å; Y765-L782 HydrophobicContact CE1-CB 3.59Å; Y765-L782 PolarHBondContact N-O 3.1Å; Y765-L782 PolarHBondContact O-N 3.32Å; R767-L782 HydrophobicContact CB-CD1 4.19Å; R767-L782 HydrophobicContact CG-CD1 4.07Å
783P95.1Very high83.2Confident95 Ų9564.5 Ų64.562%0.61735%0.347SS*.EExtended strand (participates in β ladder)trans-67.6146.2172.929.6-34.8000110.7F764 Y765F764-P783 HydrophobicContact CD1-CB 4.33Å; F764-P783 HydrophobicContact CE1-CB 4.03Å; F764-P783 HydrophobicContact CZ-CB 4.28Å; Y765-P783 WeakPolarHBondContact CE1-O 3.33Å
784G92.3Very high83.6Confident32 Ų3260.6 Ų60.633%0.3333%0.328SS..SBendtrans115.2-169.2-179.500000113.1N763 F764N763-G784 CarbonylContact C-O 3.3Å; N763-G784 WeakPolarHBondContact CB-O 3.48Å; N763-G784 PolarHBondContact O-N 3.05Å; F764-G784 CarbonylContact C-O 3.49Å; F764-G784 VanDerWaalsContact C-O 3.3Å; F764-G784 VanDerWaalsContact CA-O 3.32Å; F764-G784 WeakPolarHBondContact CA-O 3.37Å; F764-G784 PolarHBondContact N-O 3.25Å
785I86.7Confident84Confident76 Ų7655.8 Ų55.839%0.3931%0.309SS..  trans-109.3146.1-179-58.2166.7000108T752 N763 D787T752-I785 HydrophobicContact CG2-CG1 4.15Å; T752-I785 HydrophobicContact CG2-CG2 4.06Å; N763-I785 HydrophobicContact CB-CG1 3.83Å; I785-D787 PolarHBondContact O-N 2.78Å
786C78.2Confident84.2Confident9 Ų957.5 Ų57.56%0.06132%0.315CS..  trans-68.4125.5172.5-168.90000110.2L749 Y765 R788 F790L749-C786 HydrophobicContact CD2-CB 4.45Å; Y765-C786 HydrophobicContact CD2-CB 4.31Å; Y765-C786 HydrophobicContact CG-CB 4.37Å; C786-R788 PolarHBondContact O-N 3.25Å; C786-R788 VanDerWaalsContact O-N 3.16Å; C786-R788 PolarHBondContact SG-O 3.38Å; C786-F790 WeakPolarHBondContact SG-CE2 3.33Å
787D69.7Low83.7Confident156 Ų15659.6 Ų59.683%0.83432%0.323SS*.SBendtrans-60.6-28.3-175.2-64.4-25.5000113.6I785I785-D787 PolarHBondContact O-N 2.78Å
788R70.6Confident83.6Confident181 Ų18162.8 Ų62.868%0.68334%0.343SS*.SBendtrans-152.1158.3-170.4-51.4-175.4-169.9-163-1113C786C786-R788 PolarHBondContact O-N 3.25Å; C786-R788 VanDerWaalsContact O-N 3.16Å; C786-R788 PolarHBondContact SG-O 3.38Å
789S71.8Confident83.3Confident52 Ų5267.1 Ų67.136%0.36437%0.367SS..  trans-69.8144.4160.425.20000110.8E812S789-E812 PolarHBondContact OG-OE1 3.41Å
790F76.9Confident83.1Confident27 Ų2767.3 Ų67.312%0.11837%0.37CS..  trans-11412.2176.4-62.9-76.6000112.9P634 A768 F770 L775 C786 I792 N793 V794P634-F790 HydrophobicContact CB-CB 4.02Å; P634-F790 HydrophobicContact CB-CD2 3.8Å; P634-F790 HydrophobicContact CB-CG 4.24Å; P634-F790 HydrophobicContact CG-CD2 3.89Å; P634-F790 HydrophobicContact CG-CE2 4.31Å; A768-F790 HydrophobicContact CB-CE1 4.4Å; A768-F790 HydrophobicContact CB-CE2 4.06Å; A768-F790 HydrophobicContact CB-CZ 3.98Å; F770-F790 HydrophobicContact CE2-CD1 4.21Å; F770-F790 AromaticContact CE2-CE1 3.83Å; F770-F790 HydrophobicContact CE2-CE1 3.83Å; F770-F790 AromaticContact CZ-CD1 3.93Å; F770-F790 HydrophobicContact CZ-CD1 3.93Å; F770-F790 HydrophobicContact CZ-CE1 4.03Å; L775-F790 HydrophobicContact CD1-CB 4.48Å; L775-F790 HydrophobicContact CD1-CD1 3.53Å; L775-F790 HydrophobicContact CD1-CE1 3.89Å; L775-F790 HydrophobicContact CD1-CG 4.09Å; L775-F790 HydrophobicContact CD2-CB 4.07Å; L775-F790 HydrophobicContact CD2-CG 4.5Å; C786-F790 WeakPolarHBondContact SG-CE2 3.33Å; F790-I792 PolarHBondContact O-N 2.84Å; F790-N793 PolarHBondContact O-N 3.02Å; F790-N793 VanDerWaalsContact O-N 3.15Å; F790-V794 WeakPolarHBondContact O-CG2 3.34Å; F790-V794 PolarHBondContact O-N 2.65Å
791G79.3Confident83Confident52 Ų5267.7 Ų67.754%0.53638%0.378SS..Hα-helixtrans-58.2-47.7-173.300000112.9N793 V794 A795G791-N793 VanDerWaalsContact C-N 3.31Å; G791-N793 PolarHBondContact O-N 3.2Å; G791-V794 PolarHBondContact O-N 3.28Å; G791-A795 PolarHBondContact O-N 3.06Å
792I83.7Confident82.7Confident22 Ų2271.8 Ų71.811%0.11340%0.396CS..Hα-helixtrans-63.9-38.1177.8-56.8-175.8000111F790 A795 R796 L805 A808 R809 E812F790-I792 PolarHBondContact O-N 2.84Å; I792-A795 WeakPolarHBondContact O-CB 3.42Å; I792-A795 PolarHBondContact O-N 3.44Å; I792-R796 PolarHBondContact O-N 3.42Å; I792-L805 HydrophobicContact CG2-CB 4.44Å; I792-L805 HydrophobicContact CG2-CD2 3.92Å; I792-A808 HydrophobicContact CD1-CB 3.99Å; I792-A808 HydrophobicContact CG1-CB 4.33Å; I792-R809 HydrophobicContact CD1-CB 4.37Å; I792-R809 HydrophobicContact CD1-CG 3.7Å; I792-R809 HydrophobicContact CG2-CG 4.05Å; I792-E812 HydrophobicContact CD1-CB 4.26Å; I792-E812 VanDerWaalsContact CD1-OE2 3.24Å; I792-E812 WeakPolarHBondContact CD1-OE2 3.31Å
793N80.8Confident82.6Confident30 Ų3077.1 Ų77.116%0.1642%0.42CS..Hα-helixtrans-68.3-37.2177.9-58.387.2000112.4F770 L775 F790 G791 R796 M797F770-N793 HydrophobicContact CE1-CB 3.96Å; F770-N793 WeakPolarHBondContact CE1-ND2 3.45Å; F770-N793 HydrophobicContact CZ-CB 4.08Å; F770-N793 VanDerWaalsContact CZ-CG 3.47Å; F770-N793 WeakPolarHBondContact CZ-ND2 3.3Å; L775-N793 HydrophobicContact CB-CB 4.43Å; F790-N793 PolarHBondContact O-N 3.02Å; F790-N793 VanDerWaalsContact O-N 3.15Å; G791-N793 VanDerWaalsContact C-N 3.31Å; G791-N793 PolarHBondContact O-N 3.2Å; N793-R796 WeakPolarHBondContact O-CB 3.32Å; N793-R796 PolarHBondContact O-N 3.49Å; N793-M797 WeakPolarHBondContact O-CG 3.49Å; N793-M797 PolarHBondContact O-N 2.93Å; N793-M797 VanDerWaalsContact O-N 3.12Å
794V78.6Confident82.5Confident40 Ų4076 Ų7624%0.24241%0.411CS..Hα-helixtrans-65.2-41172.4174.60000110.5L775 F790 G791 R796 M797 V798L775-V794 HydrophobicContact CD2-CG2 3.66Å; F790-V794 WeakPolarHBondContact O-CG2 3.34Å; F790-V794 PolarHBondContact O-N 2.65Å; G791-V794 PolarHBondContact O-N 3.28Å; V794-R796 VanDerWaalsContact C-N 3.3Å; V794-R796 PolarHBondContact O-N 3.19Å; V794-M797 WeakPolarHBondContact O-CB 3.33Å; V794-M797 PolarHBondContact O-N 3.13Å; V794-M797 VanDerWaalsContact O-N 3.1Å; V794-V798 PolarHBondContact O-N 3.21Å
795A83.6Confident82.5Confident21 Ų2174.6 Ų74.617%0.17440%0.396CS..Hα-helixtrans-61.3-38.1174.800000112.2G791 I792 M797 V798 F800 L805G791-A795 PolarHBondContact O-N 3.06Å; I792-A795 WeakPolarHBondContact O-CB 3.42Å; I792-A795 PolarHBondContact O-N 3.44Å; A795-M797 PolarHBondContact O-N 2.9Å; A795-V798 WeakPolarHBondContact O-CG2 3.32Å; A795-V798 PolarHBondContact O-N 3.43Å; A795-F800 HydrophobicContact CB-CB 4.42Å; A795-F800 HydrophobicContact CB-CD1 4.12Å; A795-F800 HydrophobicContact CB-CD2 4.3Å; A795-F800 HydrophobicContact CB-CE1 4.47Å; A795-F800 HydrophobicContact CB-CG 4.03Å; A795-F800 WeakPolarHBondContact O-CD2 3.38Å; A795-F800 PolarHBondContact O-N 2.86Å; A795-L805 HydrophobicContact CB-CD2 3.76Å
796R83.7Confident82.6Confident40 Ų4075.3 Ų75.315%0.15140%0.398CS..Hα-helixtrans-62-39.6171.9-175.2177.6-75.1171.4-9.5112.7D773 I792 N793 V794 V798 N799 E802 L805 R809D773-R796 IonicContact OD1-NH1 2.63Å; D773-R796 PolarHBondContact OD1-NH1 3.34Å; I792-R796 PolarHBondContact O-N 3.42Å; N793-R796 WeakPolarHBondContact O-CB 3.32Å; N793-R796 PolarHBondContact O-N 3.49Å; V794-R796 VanDerWaalsContact C-N 3.3Å; V794-R796 PolarHBondContact O-N 3.19Å; R796-V798 PolarHBondContact O-N 2.78Å; R796-N799 PolarHBondContact O-N 2.93Å; R796-E802 IonicContact CZ-OE2 3.69Å; R796-E802 IonicContact NE-OE1 3.41Å; R796-E802 PolarHBondContact NE-OE1 2.6Å; R796-E802 IonicContact NE-OE2 2.81Å; R796-E802 IonicContact NH2-OE1 3.5Å; R796-E802 IonicContact NH2-OE2 2.85Å; R796-E802 PolarHBondContact NH2-OE2 3.16Å; R796-E802 VanDerWaalsContact NH2-OE2 3.08Å; R796-L805 HydrophobicContact CB-CD1 3.77Å; R796-L805 HydrophobicContact CG-CD1 4.04Å; R796-R809 VanDerWaalsContact NH2-CZ 3.28Å
797M76.1Confident83.3Confident92 Ų9280.1 Ų80.145%0.45342%0.423SS..Hα-helixtrans-61.2-27.1177.9-68.6176.471.800113.4L775 N793 V794 A795 N799L775-M797 HydrophobicContact CB-CG 4.47Å; L775-M797 HydrophobicContact CB-SD 3.73Å; L775-M797 HydrophobicContact CD2-SD 4.18Å; L775-M797 HydrophobicContact CG-SD 4.39Å; N793-M797 WeakPolarHBondContact O-CG 3.49Å; N793-M797 PolarHBondContact O-N 2.93Å; N793-M797 VanDerWaalsContact O-N 3.12Å; V794-M797 WeakPolarHBondContact O-CB 3.33Å; V794-M797 PolarHBondContact O-N 3.13Å; V794-M797 VanDerWaalsContact O-N 3.1Å; A795-M797 PolarHBondContact O-N 2.9Å; M797-N799 VanDerWaalsContact C-N 3.32Å
798V82.5Confident84.3Confident97 Ų9774.6 Ų74.659%0.58840%0.399SS*.THydrogen-bonded Turntrans-95.116.8175.3-63.80000112.8V794 A795 R796 F800V794-V798 PolarHBondContact O-N 3.21Å; A795-V798 WeakPolarHBondContact O-CG2 3.32Å; A795-V798 PolarHBondContact O-N 3.43Å; R796-V798 PolarHBondContact O-N 2.78Å; V798-F800 HydrophobicContact CG2-CD2 3.68Å; V798-F800 HydrophobicContact CG2-CE2 3.7Å
799N84Confident85.1Confident145 Ų14569.8 Ų69.878%0.77538%0.381SS*.THydrogen-bonded Turntrans59.745.2175.5-58.3-46.6000114.7R796 M797R796-N799 PolarHBondContact O-N 2.93Å; M797-N799 VanDerWaalsContact C-N 3.32Å
800F87.6Confident85.9Confident104 Ų10471.2 Ų71.246%0.45638%0.384SS..  trans-60150168.3-90.9-133.5000111.4A795 V798 E802 V804 L805A795-F800 HydrophobicContact CB-CB 4.42Å; A795-F800 HydrophobicContact CB-CD1 4.12Å; A795-F800 HydrophobicContact CB-CD2 4.3Å; A795-F800 HydrophobicContact CB-CE1 4.47Å; A795-F800 HydrophobicContact CB-CG 4.03Å; A795-F800 WeakPolarHBondContact O-CD2 3.38Å; A795-F800 PolarHBondContact O-N 2.86Å; V798-F800 HydrophobicContact CG2-CD2 3.68Å; V798-F800 HydrophobicContact CG2-CE2 3.7Å; F800-E802 PolarHBondContact O-N 3.45Å; F800-V804 HydrophobicContact CD1-CG1 4.36Å; F800-L805 HydrophobicContact CB-CD1 4.24Å; F800-L805 HydrophobicContact CB-CD2 3.84Å; F800-L805 HydrophobicContact CB-CG 3.96Å
801P91.5Very high86.4Confident80 Ų8073.9 Ų73.952%0.51940%0.397SS..  trans-57.1131.4174.9-21.832.5000111.2E803 V804 L805P801-E803 PolarHBondContact O-N 3.02Å; P801-V804 HydrophobicContact CB-CB 4.43Å; P801-V804 HydrophobicContact CB-CG2 4.06Å; P801-V804 HydrophobicContact CG-CG2 4.22Å; P801-V804 WeakPolarHBondContact O-CB 3.42Å; P801-V804 PolarHBondContact O-N 3.29Å; P801-L805 PolarHBondContact O-N 2.77Å; P801-L805 VanDerWaalsContact O-N 3.08Å
802E89.9Confident86.6Confident104 Ų10474.5 Ų74.549%0.48639%0.386SS..Hα-helixtrans-61.6-28.8-177.8-74.7-63.9147.900112.8R796 F800 V804 L805 Q806R796-E802 IonicContact CZ-OE2 3.69Å; R796-E802 IonicContact NE-OE1 3.41Å; R796-E802 PolarHBondContact NE-OE1 2.6Å; R796-E802 IonicContact NE-OE2 2.81Å; R796-E802 IonicContact NH2-OE1 3.5Å; R796-E802 IonicContact NH2-OE2 2.85Å; R796-E802 PolarHBondContact NH2-OE2 3.16Å; R796-E802 VanDerWaalsContact NH2-OE2 3.08Å; F800-E802 PolarHBondContact O-N 3.45Å; E802-V804 PolarHBondContact O-N 3.26Å; E802-L805 PolarHBondContact O-N 3.48Å; E802-Q806 WeakPolarHBondContact O-CB 3.44Å; E802-Q806 PolarHBondContact O-N 2.9Å
803E92.6Very high86.5Confident164 Ų16480 Ų8077%0.76641%0.412SS*.Hα-helixtrans-59.1-45.9172-65.2177.1-177.700111.3P801 L805 Q806 D807P801-E803 PolarHBondContact O-N 3.02Å; E803-L805 PolarHBondContact O-N 3.41Å; E803-Q806 PolarHBondContact O-N 2.79Å; E803-D807 PolarHBondContact O-N 2.83Å
804V93.4Very high86.5Confident71 Ų7184 Ų8443%0.4342%0.424SS..Hα-helixtrans-67-38.2177.6177.10000111.3F800 P801 E802 Q806 A808F800-V804 HydrophobicContact CD1-CG1 4.36Å; P801-V804 HydrophobicContact CB-CB 4.43Å; P801-V804 HydrophobicContact CB-CG2 4.06Å; P801-V804 HydrophobicContact CG-CG2 4.22Å; P801-V804 WeakPolarHBondContact O-CB 3.42Å; P801-V804 PolarHBondContact O-N 3.29Å; E802-V804 PolarHBondContact O-N 3.26Å; V804-Q806 VanDerWaalsContact C-N 3.32Å; V804-A808 WeakPolarHBondContact O-CB 3.29Å; V804-A808 PolarHBondContact O-N 2.65Å
805L90.5Very high86.5Confident4 Ų486.2 Ų86.22%0.02143%0.434CS..Hα-helixtrans-67.6-35.1177.1-65.6175.5000111.8I792 A795 R796 F800 P801 E802 E803 R809I792-L805 HydrophobicContact CG2-CB 4.44Å; I792-L805 HydrophobicContact CG2-CD2 3.92Å; A795-L805 HydrophobicContact CB-CD2 3.76Å; R796-L805 HydrophobicContact CB-CD1 3.77Å; R796-L805 HydrophobicContact CG-CD1 4.04Å; F800-L805 HydrophobicContact CB-CD1 4.24Å; F800-L805 HydrophobicContact CB-CD2 3.84Å; F800-L805 HydrophobicContact CB-CG 3.96Å; P801-L805 PolarHBondContact O-N 2.77Å; P801-L805 VanDerWaalsContact O-N 3.08Å; E802-L805 PolarHBondContact O-N 3.48Å; E803-L805 PolarHBondContact O-N 3.41Å; L805-R809 VanDerWaalsContact O-CG 3.29Å; L805-R809 WeakPolarHBondContact O-CG 3.47Å; L805-R809 PolarHBondContact O-N 2.75Å; L805-R809 VanDerWaalsContact O-N 3.14Å
806Q90.4Very high85.9Confident91 Ų9189.5 Ų89.543%0.42545%0.446SS..Hα-helixtrans-68.6-48.7175.5-171.658.445.700110.8E802 E803 V804 A808 R809 D810E802-Q806 WeakPolarHBondContact O-CB 3.44Å; E802-Q806 PolarHBondContact O-N 2.9Å; E803-Q806 PolarHBondContact O-N 2.79Å; V804-Q806 VanDerWaalsContact C-N 3.32Å; Q806-A808 VanDerWaalsContact C-N 3.25Å; Q806-A808 PolarHBondContact O-N 2.72Å; Q806-R809 WeakPolarHBondContact O-CB 3.37Å; Q806-R809 PolarHBondContact O-N 3.27Å; Q806-D810 PolarHBondContact NE2-OD1 2.96Å; Q806-D810 PolarHBondContact O-N 3.43Å
807D91.8Very high84.9Confident110 Ų11090.7 Ų90.759%0.58846%0.461SS*.Hα-helixtrans-56.5-41.1175.9-70.1-12.3000111.7E803 R809 D810 E811E803-D807 PolarHBondContact O-N 2.83Å; D807-R809 VanDerWaalsContact C-N 3.34Å; D807-R809 PolarHBondContact O-N 2.91Å; D807-D810 PolarHBondContact O-N 3.15Å; D807-E811 WeakPolarHBondContact O-CB 3.25Å; D807-E811 PolarHBondContact O-N 3.29Å
808A90.6Very high84Confident40 Ų4092.8 Ų92.833%0.33147%0.467SS..Hα-helixtrans-65.3-34.9177.300000113I792 V804 Q806 E812I792-A808 HydrophobicContact CD1-CB 3.99Å; I792-A808 HydrophobicContact CG1-CB 4.33Å; V804-A808 WeakPolarHBondContact O-CB 3.29Å; V804-A808 PolarHBondContact O-N 2.65Å; Q806-A808 VanDerWaalsContact C-N 3.25Å; Q806-A808 PolarHBondContact O-N 2.72Å; A808-E812 WeakPolarHBondContact O-CB 3.27Å; A808-E812 PolarHBondContact O-N 2.99Å
809R87.1Confident82.6Confident80 Ų8095 Ų9530%0.30247%0.465SS..Hα-helixtrans-70.4-44.5176.4-76.5170.2175-164-9.6111.7I792 R796 L805 Q806 D807 E811 E812 E813I792-R809 HydrophobicContact CD1-CB 4.37Å; I792-R809 HydrophobicContact CD1-CG 3.7Å; I792-R809 HydrophobicContact CG2-CG 4.05Å; R796-R809 VanDerWaalsContact NH2-CZ 3.28Å; L805-R809 VanDerWaalsContact O-CG 3.29Å; L805-R809 WeakPolarHBondContact O-CG 3.47Å; L805-R809 PolarHBondContact O-N 2.75Å; L805-R809 VanDerWaalsContact O-N 3.14Å; Q806-R809 WeakPolarHBondContact O-CB 3.37Å; Q806-R809 PolarHBondContact O-N 3.27Å; D807-R809 VanDerWaalsContact C-N 3.34Å; D807-R809 PolarHBondContact O-N 2.91Å; R809-E811 PolarHBondContact O-N 3.41Å; R809-E812 PolarHBondContact O-N 3.28Å; R809-E813 PolarHBondContact O-N 3.41Å
810D88.6Confident81Confident81 Ų8194.4 Ų94.443%0.43346%0.461SS..Hα-helixtrans-60.5-40.3178.2-65.6-3.1000109.9Q806 D807 R814Q806-D810 PolarHBondContact NE2-OD1 2.96Å; Q806-D810 PolarHBondContact O-N 3.43Å; D807-D810 PolarHBondContact O-N 3.15Å; D810-R814 WeakPolarHBondContact O-CB 3.26Å; D810-R814 PolarHBondContact O-N 3.35Å
811E87.2Confident78.9Confident84 Ų8494.5 Ų94.539%0.39347%0.466SS..Hα-helixtrans-71-37.4175.3-172.862.6-170.800113.1D807 R809 R814 L815D807-E811 WeakPolarHBondContact O-CB 3.25Å; D807-E811 PolarHBondContact O-N 3.29Å; R809-E811 PolarHBondContact O-N 3.41Å; E811-R814 WeakPolarHBondContact O-CB 3.29Å; E811-R814 PolarHBondContact O-N 3.48Å; E811-R814 IonicContact OE1-CZ 3.69Å; E811-R814 IonicContact OE1-NE 2.76Å; E811-R814 PolarHBondContact OE1-NE 3.24Å; E811-R814 IonicContact OE1-NH2 3.59Å; E811-R814 PolarHBondContact OE1-NH2 2.95Å; E811-R814 IonicContact OE2-CZ 3.75Å; E811-R814 IonicContact OE2-NE 3.24Å; E811-R814 PolarHBondContact OE2-NE 3.1Å; E811-R814 IonicContact OE2-NH2 3.9Å; E811-L815 HydrophobicContact CG-CD1 4.33Å; E811-L815 VanDerWaalsContact O-CG 3.29Å; E811-L815 WeakPolarHBondContact O-CG 3.38Å; E811-L815 PolarHBondContact O-N 3.12Å
812E83.9Confident76.7Confident64 Ų6497.4 Ų97.430%0.29947%0.473SS..Hα-helixtrans-60.8-48.9173.3-177.1177.4-138.200111S789 I792 A808 R809 R814 L815 E816S789-E812 PolarHBondContact OG-OE1 3.41Å; I792-E812 HydrophobicContact CD1-CB 4.26Å; I792-E812 VanDerWaalsContact CD1-OE2 3.24Å; I792-E812 WeakPolarHBondContact CD1-OE2 3.31Å; A808-E812 WeakPolarHBondContact O-CB 3.27Å; A808-E812 PolarHBondContact O-N 2.99Å; R809-E812 PolarHBondContact O-N 3.28Å; E812-R814 VanDerWaalsContact C-N 3.3Å; E812-R814 PolarHBondContact O-N 3.4Å; E812-L815 PolarHBondContact O-N 3.22Å; E812-L815 VanDerWaalsContact O-N 3.1Å; E812-E816 PolarHBondContact O-N 3.41Å
813E81.6Confident74.5Confident139 Ų13995.6 Ų95.665%0.6547%0.467SS*.Hα-helixtrans-61.2-40.7177.5-172.2174.1-168.500111.2R809 L815 E816 S817R809-E813 PolarHBondContact O-N 3.41Å; E813-L815 PolarHBondContact O-N 2.92Å; E813-E816 PolarHBondContact O-N 3.09Å; E813-S817 PolarHBondContact O-N 3.27Å
814R82Confident72.5Confident114 Ų11488.9 Ų88.943%0.4344%0.442SS..Hα-helixtrans-58-47.4172.8-166.1-174.276.177.33.3111D810 E811 E812 S817 F818D810-R814 WeakPolarHBondContact O-CB 3.26Å; D810-R814 PolarHBondContact O-N 3.35Å; E811-R814 WeakPolarHBondContact O-CB 3.29Å; E811-R814 PolarHBondContact O-N 3.48Å; E811-R814 IonicContact OE1-CZ 3.69Å; E811-R814 IonicContact OE1-NE 2.76Å; E811-R814 PolarHBondContact OE1-NE 3.24Å; E811-R814 IonicContact OE1-NH2 3.59Å; E811-R814 PolarHBondContact OE1-NH2 2.95Å; E811-R814 IonicContact OE2-CZ 3.75Å; E811-R814 IonicContact OE2-NE 3.24Å; E811-R814 PolarHBondContact OE2-NE 3.1Å; E811-R814 IonicContact OE2-NH2 3.9Å; E812-R814 VanDerWaalsContact C-N 3.3Å; E812-R814 PolarHBondContact O-N 3.4Å; R814-S817 PolarHBondContact O-N 3.32Å; R814-S817 PolarHBondContact O-OG 3.08Å; R814-F818 HydrophobicContact CG-CE2 4.32Å; R814-F818 WeakPolarHBondContact O-CD2 3.48Å
815L78.3Confident70.4Confident85 Ų8593.9 Ų93.945%0.44545%0.453SS..Hα-helixtrans-70.8-34.3-179.5-69.3171.7000113.4E811 E812 E813 F818E811-L815 HydrophobicContact CG-CD1 4.33Å; E811-L815 VanDerWaalsContact O-CG 3.29Å; E811-L815 WeakPolarHBondContact O-CG 3.38Å; E811-L815 PolarHBondContact O-N 3.12Å; E812-L815 PolarHBondContact O-N 3.22Å; E812-L815 VanDerWaalsContact O-N 3.1Å; E813-L815 PolarHBondContact O-N 2.92Å; L815-F818 PolarHBondContact O-N 3.28Å
816E70.4Confident68.5Low91 Ų9199 Ų9943%0.42548%0.475SS..Hα-helixtrans-66.9-37.2174.8-76.4-167159.400112.2E812 E813 F818 R819 L820E812-E816 PolarHBondContact O-N 3.41Å; E813-E816 PolarHBondContact O-N 3.09Å; E816-F818 PolarHBondContact O-N 3.38Å; E816-R819 WeakPolarHBondContact O-CA 3.44Å; E816-R819 WeakPolarHBondContact O-CB 3.14Å; E816-R819 PolarHBondContact O-N 2.93Å; E816-L820 PolarHBondContact O-N 3.1Å
817S62.5Low66.7Low65 Ų6599.4 Ų99.446%0.45548%0.479SS..Hα-helixtrans-58.1-36.1176.176.30000112.2E813 R814 R819E813-S817 PolarHBondContact O-N 3.27Å; R814-S817 PolarHBondContact O-N 3.32Å; R814-S817 PolarHBondContact O-OG 3.08Å; S817-R819 VanDerWaalsContact C-N 3.28Å; S817-R819 PolarHBondContact O-N 3.16Å
818F57.6Low64.7Low136 Ų13698.4 Ų98.460%0.59647%0.473SS*.Hα-helixtrans-68.3-23.4173.9-75.2-76.9000113.8R814 L815 E816R814-F818 HydrophobicContact CG-CE2 4.32Å; R814-F818 WeakPolarHBondContact O-CD2 3.48Å; L815-F818 PolarHBondContact O-N 3.28Å; E816-F818 PolarHBondContact O-N 3.38Å
819R53.7Low62.9Low144 Ų144101 Ų10154%0.54348%0.482SS..Hα-helixtrans-84.4-29.8-179.8-69.1178.1177.6-143.6-12.1113.2E750 E816 S817E750-R819 IonicContact OE1-CZ 3.28Å; E750-R819 IonicContact OE1-NH1 3.08Å; E750-R819 PolarHBondContact OE1-NH1 3.14Å; E750-R819 IonicContact OE1-NH2 3.44Å; E750-R819 PolarHBondContact OE1-NH2 2.78Å; E816-R819 WeakPolarHBondContact O-CA 3.44Å; E816-R819 WeakPolarHBondContact O-CB 3.14Å; E816-R819 PolarHBondContact O-N 2.93Å; S817-R819 VanDerWaalsContact C-N 3.28Å; S817-R819 PolarHBondContact O-N 3.16Å
820L48.9Very low61.4Low131 Ų131100 Ų10069%0.68648%0.484SS*.Hα-helixtrans-92.6-13.7-169.7-75167.9000115.3E816 E822E816-L820 PolarHBondContact O-N 3.1Å; L820-E822 PolarHBondContact O-N 3.33Å
821D43.7Very low59.8Low106 Ų106102.7 Ų102.757%0.56749%0.492SS*.SBendtrans-62.3133.1172.6-86.6-10.2000110.2N823 G824 R825D821-N823 HydrophobicContact CB-CB 4.41Å; D821-N823 CarbonylContact O-C 3.6Å; D821-N823 PolarHBondContact O-N 2.73Å; D821-G824 WeakPolarHBondContact O-CA 3.38Å; D821-G824 PolarHBondContact O-N 3.37Å; D821-R825 PolarHBondContact O-N 3Å
822E45.6Very low58.3Low141 Ų141102.3 Ų102.366%0.65949%0.492SS*.Hα-helixtrans-50.7-25.2170.8-85.2-163.7167.400112.1L820 K826L820-E822 PolarHBondContact O-N 3.33Å; E822-K826 WeakPolarHBondContact O-CB 3.18Å; E822-K826 WeakPolarHBondContact O-CD 3.47Å; E822-K826 VanDerWaalsContact O-CG 3.24Å; E822-K826 WeakPolarHBondContact O-CG 3.11Å; E822-K826 PolarHBondContact O-N 3.42Å; E822-K826 IonicContact OE2-NZ 2.66Å; E822-K826 PolarHBondContact OE2-NZ 3.39Å
823N44.2Very low57Low67 Ų67103.8 Ų103.836%0.35850%0.502SS..Hα-helixtrans-69.4-34.8172.5-78.6-18.6000113D821 K826 I827D821-N823 HydrophobicContact CB-CB 4.41Å; D821-N823 CarbonylContact O-C 3.6Å; D821-N823 PolarHBondContact O-N 2.73Å; N823-K826 CarbonylContact O-C 3.59Å; N823-K826 PolarHBondContact O-N 2.73Å; N823-I827 VanDerWaalsContact O-CB 3.25Å; N823-I827 WeakPolarHBondContact O-CB 3.46Å; N823-I827 WeakPolarHBondContact O-CD1 3.45Å; N823-I827 WeakPolarHBondContact O-CG1 3.4Å; N823-I827 PolarHBondContact O-N 3.37Å
824G49.9Very low55.6Low23 Ų2399.7 Ų99.724%0.23748%0.484CS..Hα-helixtrans-66.4-43.117500000112.6D821 I827 L828D821-G824 WeakPolarHBondContact O-CA 3.38Å; D821-G824 PolarHBondContact O-N 3.37Å; G824-I827 PolarHBondContact O-N 3.2Å; G824-L828 WeakPolarHBondContact O-CB 3.11Å; G824-L828 PolarHBondContact O-N 2.9Å
825R50.3Low54.3Low176 Ų176100.4 Ų100.466%0.66449%0.49SS*.Hα-helixtrans-65.9-39.2171.2-79.5-178.9175.3169.4-1.8112.4D821 N829D821-R825 PolarHBondContact O-N 3Å; R825-N829 VanDerWaalsContact O-CB 3.29Å; R825-N829 WeakPolarHBondContact O-CB 3.07Å; R825-N829 PolarHBondContact O-N 3.37Å
826K50.1Low53.1Low110 Ų110102.8 Ų102.848%0.47850%0.499SS..Hα-helixtrans-65.2-39.4172.8-78166.7-177152.40111.6E822 N823 N829 V830E822-K826 WeakPolarHBondContact O-CB 3.18Å; E822-K826 WeakPolarHBondContact O-CD 3.47Å; E822-K826 VanDerWaalsContact O-CG 3.24Å; E822-K826 WeakPolarHBondContact O-CG 3.11Å; E822-K826 PolarHBondContact O-N 3.42Å; E822-K826 IonicContact OE2-NZ 2.66Å; E822-K826 PolarHBondContact OE2-NZ 3.39Å; N823-K826 CarbonylContact O-C 3.59Å; N823-K826 PolarHBondContact O-N 2.73Å; K826-N829 PolarHBondContact O-N 3.26Å; K826-V830 VanDerWaalsContact O-CB 3.26Å; K826-V830 WeakPolarHBondContact O-CB 3.25Å; K826-V830 WeakPolarHBondContact O-CG2 3.45Å; K826-V830 PolarHBondContact O-N 3.41Å
827I52.6Low52.1Low100 Ų100105 Ų10551%0.51351%0.507SS..Hα-helixtrans-68.6-42.5177.4-72.9162.4000110.4N823 G824 V830 F831N823-I827 VanDerWaalsContact O-CB 3.25Å; N823-I827 WeakPolarHBondContact O-CB 3.46Å; N823-I827 WeakPolarHBondContact O-CD1 3.45Å; N823-I827 WeakPolarHBondContact O-CG1 3.4Å; N823-I827 PolarHBondContact O-N 3.37Å; G824-I827 PolarHBondContact O-N 3.2Å; I827-V830 PolarHBondContact O-N 2.84Å; I827-F831 VanDerWaalsContact O-CB 3.27Å; I827-F831 WeakPolarHBondContact O-CB 3.24Å; I827-F831 PolarHBondContact O-N 3.1Å
828L49.8Very low51.6Low89 Ų89105.7 Ų105.747%0.46651%0.505SS..Hα-helixtrans-63.7-43.5175.2-164.273.1000111.1G824 F831 L832G824-L828 WeakPolarHBondContact O-CB 3.11Å; G824-L828 PolarHBondContact O-N 2.9Å; L828-F831 PolarHBondContact O-N 3.4Å; L828-L832 HydrophobicContact CG-CD1 4.3Å; L828-L832 WeakPolarHBondContact O-CB 3.34Å; L828-L832 WeakPolarHBondContact O-CG 3.44Å; L828-L832 PolarHBondContact O-N 3.36Å
829N53.9Low51.3Low96 Ų96103 Ų10351%0.51350%0.503SS..Hα-helixtrans-63.8-40.4173.6-80.3-15.9000112.3R825 K826 F831 L832 L833R825-N829 VanDerWaalsContact O-CB 3.29Å; R825-N829 WeakPolarHBondContact O-CB 3.07Å; R825-N829 PolarHBondContact O-N 3.37Å; K826-N829 PolarHBondContact O-N 3.26Å; N829-F831 VanDerWaalsContact C-N 3.34Å; N829-L832 PolarHBondContact O-N 3.46Å; N829-L833 VanDerWaalsContact O-CB 3.31Å; N829-L833 WeakPolarHBondContact O-CB 3.29Å; N829-L833 PolarHBondContact O-N 3.39Å
830V54.5Low51.4Low58 Ų58101 Ų10135%0.35251%0.507SS..Hα-helixtrans-65.8-38.3174.9166.20000110.8K826 I827 L834K826-V830 VanDerWaalsContact O-CB 3.26Å; K826-V830 WeakPolarHBondContact O-CB 3.25Å; K826-V830 WeakPolarHBondContact O-CG2 3.45Å; K826-V830 PolarHBondContact O-N 3.41Å; I827-V830 PolarHBondContact O-N 2.84Å; V830-L834 HydrophobicContact CG1-CD1 3.75Å; V830-L834 VanDerWaalsContact O-CB 3.25Å; V830-L834 WeakPolarHBondContact O-CB 3.48Å; V830-L834 WeakPolarHBondContact O-CD1 3.42Å; V830-L834 WeakPolarHBondContact O-CG 3.24Å; V830-L834 PolarHBondContact O-N 3.46Å
831F55.8Low51.4Low137 Ų13796.1 Ų96.160%0.60149%0.486SS*.Hα-helixtrans-68.5-41.6177.5-163.2-95.5000111.7I827 L828 N829 L834 K835I827-F831 VanDerWaalsContact O-CB 3.27Å; I827-F831 WeakPolarHBondContact O-CB 3.24Å; I827-F831 PolarHBondContact O-N 3.1Å; L828-F831 PolarHBondContact O-N 3.4Å; N829-F831 VanDerWaalsContact C-N 3.34Å; F831-L834 PolarHBondContact O-N 3.14Å; F831-K835 WeakPolarHBondContact O-CB 3.38Å; F831-K835 PolarHBondContact O-N 3.09Å
832L55.4Low51.6Low76 Ų7694.7 Ų94.740%0.39849%0.489SS..Hα-helixtrans-63.9-46.7173.5-74164.2000111.6L828 N829 L834 K835 E836L828-L832 HydrophobicContact CG-CD1 4.3Å; L828-L832 WeakPolarHBondContact O-CB 3.34Å; L828-L832 WeakPolarHBondContact O-CG 3.44Å; L828-L832 PolarHBondContact O-N 3.36Å; N829-L832 PolarHBondContact O-N 3.46Å; L832-L834 VanDerWaalsContact C-N 3.34Å; L832-L834 PolarHBondContact O-N 3.49Å; L832-K835 PolarHBondContact O-N 3.49Å; L832-E836 PolarHBondContact O-N 3.47Å
833L55.7Low51.7Low96 Ų9695.5 Ų95.550%0.50350%0.498SS..Hα-helixtrans-60.8-40174.1-104.1144.3000112.7N829 K837N829-L833 VanDerWaalsContact O-CB 3.31Å; N829-L833 WeakPolarHBondContact O-CB 3.29Å; N829-L833 PolarHBondContact O-N 3.39Å; L833-K837 WeakPolarHBondContact O-CB 3.42Å; L833-K837 WeakPolarHBondContact O-CG 3.4Å; L833-K837 PolarHBondContact O-N 2.91Å
834L53.2Low51.9Low53 Ų5395.9 Ų95.928%0.27751%0.506SS..Hα-helixtrans-65.5-42175.6-88.6159.4000110.9V830 F831 L832 K837 L838 I855V830-L834 HydrophobicContact CG1-CD1 3.75Å; V830-L834 VanDerWaalsContact O-CB 3.25Å; V830-L834 WeakPolarHBondContact O-CB 3.48Å; V830-L834 WeakPolarHBondContact O-CD1 3.42Å; V830-L834 WeakPolarHBondContact O-CG 3.24Å; V830-L834 PolarHBondContact O-N 3.46Å; F831-L834 PolarHBondContact O-N 3.14Å; L832-L834 VanDerWaalsContact C-N 3.34Å; L832-L834 PolarHBondContact O-N 3.49Å; L834-K837 PolarHBondContact O-N 3.37Å; L834-L838 HydrophobicContact CB-CD1 4.48Å; L834-L838 WeakPolarHBondContact O-CB 3.4Å; L834-L838 WeakPolarHBondContact O-CD1 3.34Å; L834-L838 WeakPolarHBondContact O-CG 3.39Å; L834-L838 PolarHBondContact O-N 3.32Å; L834-I855 HydrophobicContact CD2-CD1 4.24Å
835K53.4Low51.6Low129 Ų129100.1 Ų100.156%0.56153%0.532SS*.Hα-helixtrans-65.4-41.6180-159.3176.8-177.3-178.90112F831 L832 L838 S839F831-K835 WeakPolarHBondContact O-CB 3.38Å; F831-K835 PolarHBondContact O-N 3.09Å; L832-K835 PolarHBondContact O-N 3.49Å; K835-L838 PolarHBondContact O-N 2.97Å; K835-S839 PolarHBondContact O-N 3.46Å; K835-S839 PolarHBondContact O-OG 2.88Å
836E55Low51.8Low135 Ų13599.3 Ų99.363%0.63154%0.541SS*.Hα-helixtrans-68.4-36.7177.5-159.9178.4-154.100112.5L832 S839 T840L832-E836 PolarHBondContact O-N 3.47Å; E836-S839 WeakPolarHBondContact CA-OG 3.37Å; E836-S839 PolarHBondContact O-OG 3.21Å; E836-T840 PolarHBondContact O-N 3.39Å; E836-T840 PolarHBondContact O-OG1 3.45Å
837K49.5Very low52.1Low136 Ų13696.3 Ų96.359%0.59154%0.541SS*.Hα-helixtrans-77.1-28.3173.4-71.2-160.9175.2-165.30113.8L833 L834 T840 A841L833-K837 WeakPolarHBondContact O-CB 3.42Å; L833-K837 WeakPolarHBondContact O-CG 3.4Å; L833-K837 PolarHBondContact O-N 2.91Å; L834-K837 PolarHBondContact O-N 3.37Å; K837-T840 VanDerWaalsContact CA-OG1 3.31Å; K837-T840 WeakPolarHBondContact CA-OG1 3.31Å; K837-T840 PolarHBondContact O-OG1 3.18Å; K837-T840 VanDerWaalsContact O-OG1 3.08Å; K837-A841 VanDerWaalsContact O-CB 3.3Å; K837-A841 WeakPolarHBondContact O-CB 3.34Å; K837-A841 PolarHBondContact O-N 2.93Å; K837-A841 VanDerWaalsContact O-N 3.09Å
838L51.8Low52Low80 Ų8094.6 Ų94.642%0.41953%0.532SS..Hα-helixtrans-72.3-36.6173.3-77.8164000111.5L834 K835 T840 A841 A842 L848L834-L838 HydrophobicContact CB-CD1 4.48Å; L834-L838 WeakPolarHBondContact O-CB 3.4Å; L834-L838 WeakPolarHBondContact O-CD1 3.34Å; L834-L838 WeakPolarHBondContact O-CG 3.39Å; L834-L838 PolarHBondContact O-N 3.32Å; K835-L838 PolarHBondContact O-N 2.97Å; L838-T840 VanDerWaalsContact C-N 3.3Å; L838-T840 PolarHBondContact O-N 3.05Å; L838-A841 PolarHBondContact O-N 2.67Å; L838-A842 PolarHBondContact O-N 2.8Å; L838-L848 HydrophobicContact CD2-CD2 3.39Å
839S51.4Low52.1Low79 Ų7996.9 Ų96.955%0.55255%0.545SS*.Hα-helixtrans-69.1-26174.453.90000113.5K835 E836K835-S839 PolarHBondContact O-N 3.46Å; K835-S839 PolarHBondContact O-OG 2.88Å; E836-S839 WeakPolarHBondContact CA-OG 3.37Å; E836-S839 PolarHBondContact O-OG 3.21Å
840T54.8Low52.4Low102 Ų10296.8 Ų96.863%0.62655%0.549SS*.Hα-helixtrans-87.3-19.6174.140.40000113.3E836 K837 L838E836-T840 PolarHBondContact O-N 3.39Å; E836-T840 PolarHBondContact O-OG1 3.45Å; K837-T840 VanDerWaalsContact CA-OG1 3.31Å; K837-T840 WeakPolarHBondContact CA-OG1 3.31Å; K837-T840 PolarHBondContact O-OG1 3.18Å; K837-T840 VanDerWaalsContact O-OG1 3.08Å; L838-T840 VanDerWaalsContact C-N 3.3Å; L838-T840 PolarHBondContact O-N 3.05Å
841A49.6Very low52.5Low29 Ų29100.9 Ų100.924%0.2456%0.559CS.*Hα-helixtrans-90.6-11.9177.500000114.2K837 L838 D843 S844 L848K837-A841 VanDerWaalsContact O-CB 3.3Å; K837-A841 WeakPolarHBondContact O-CB 3.34Å; K837-A841 PolarHBondContact O-N 2.93Å; K837-A841 VanDerWaalsContact O-N 3.09Å; L838-A841 PolarHBondContact O-N 2.67Å; A841-D843 PolarHBondContact O-N 3.28Å; A841-D843 VanDerWaalsContact O-N 3.08Å; A841-S844 PolarHBondContact O-N 2.67Å; A841-S844 VanDerWaalsContact O-N 3.15Å; A841-L848 HydrophobicContact CB-CD1 4.18Å; A841-L848 HydrophobicContact CB-CD2 4.27Å; A841-L848 HydrophobicContact CB-CG 4.35Å
842A47.2Very low52.6Low76 Ų7697.3 Ų97.363%0.62855%0.549SS*.THydrogen-bonded Turntrans-62.1-12.8179.400000114.2L838 S844L838-A842 PolarHBondContact O-N 2.8Å; A842-S844 VanDerWaalsContact C-N 3.33Å; A842-S844 PolarHBondContact O-N 3.5Å
843D48.7Very low52.8Low158 Ų15897 Ų9785%0.84555%0.552SS**THydrogen-bonded Turntrans-83.82.5175.8-72.9-25.4000114.3A841A841-D843 PolarHBondContact O-N 3.28Å; A841-D843 VanDerWaalsContact O-N 3.08Å
844S48.2Very low53.2Low75 Ų7598.8 Ų98.852%0.52456%0.558SS.*  trans-142.5109.6175.460.50000112.4A841 A842 D846A841-S844 PolarHBondContact O-N 2.67Å; A841-S844 VanDerWaalsContact O-N 3.15Å; A842-S844 VanDerWaalsContact C-N 3.33Å; A842-S844 PolarHBondContact O-N 3.5Å; S844-D846 VanDerWaalsContact C-N 3.33Å; S844-D846 PolarHBondContact O-N 3.03Å
845S43.2Very low53.6Low112 Ų11298.8 Ų98.878%0.78356%0.557SS**THydrogen-bonded Turntrans-75.4-3.6-166.750.70000116.7
846D53.8Low53.9Low160 Ų16095.8 Ų95.886%0.85655%0.55SS*.THydrogen-bonded Turntrans-118.27.5-167.1-75.8-22.3000116.1S844S844-D846 VanDerWaalsContact C-N 3.33Å; S844-D846 PolarHBondContact O-N 3.03Å
847G56.6Low54.4Low47 Ų4796.5 Ų96.549%0.48555%0.551SS.*SBendtrans-117.9-9.7-171.500000117.8
848L51.6Low55.1Low63 Ų6394.3 Ų94.333%0.3354%0.543SS..Hα-helixtrans-80-36.3-161.9-94.9147.4000115.1L838 A841 Y851 V852L838-L848 HydrophobicContact CD2-CD2 3.39Å; A841-L848 HydrophobicContact CB-CD1 4.18Å; A841-L848 HydrophobicContact CB-CD2 4.27Å; A841-L848 HydrophobicContact CB-CG 4.35Å; L848-Y851 PolarHBondContact O-N 3.46Å; L848-V852 HydrophobicContact CD2-CG2 4.49Å; L848-V852 VanDerWaalsContact O-CG2 3.29Å; L848-V852 WeakPolarHBondContact O-CG2 3.45Å; L848-V852 PolarHBondContact O-N 2.95Å
849L51Low55.4Low138 Ų13893.8 Ų93.872%0.72354%0.54SS*.Hα-helixtrans-67.5-44.6-171.4-158.372.8000114.2Y851 C853L849-Y851 VanDerWaalsContact C-N 3.28Å; L849-Y851 PolarHBondContact O-N 3.39Å; L849-C853 PolarHBondContact O-N 3.03Å; L849-C853 VanDerWaalsContact O-N 3.09Å; L849-C853 PolarHBondContact O-SG 2.9Å; L849-C853 VanDerWaalsContact O-SG 3.41Å
850P60.1Low55.9Low93 Ų9395.9 Ų95.960%0.60454%0.541SS*.Hα-helixtrans-64.5-35.5178.2-19.332.3000112.3Q854P850-Q854 PolarHBondContact O-N 3.46Å; P850-Q854 VanDerWaalsContact O-N 3.08Å
851Y57.4Low56.4Low145 Ų14597.5 Ų97.557%0.56954%0.54SS*.Hα-helixtrans-73.7-41.1-177.2-157.9-101.8000111.8L848 L849 Q854 I855L848-Y851 PolarHBondContact O-N 3.46Å; L849-Y851 VanDerWaalsContact C-N 3.28Å; L849-Y851 PolarHBondContact O-N 3.39Å; Y851-Q854 PolarHBondContact O-N 3.03Å; Y851-I855 HydrophobicContact CD1-CD1 3.76Å; Y851-I855 HydrophobicContact CE1-CD1 3.59Å; Y851-I855 HydrophobicContact CE1-CG1 4.44Å; Y851-I855 WeakPolarHBondContact O-CG1 3.15Å; Y851-I855 PolarHBondContact O-N 2.94Å; Y851-I855 VanDerWaalsContact O-N 3.1Å
852V56.7Low56.7Low62 Ų62104.2 Ų104.238%0.37656%0.558SS.*Hα-helixtrans-60.5-48.6172.2172.50000110.2L848 Q854 I855 T856L848-V852 HydrophobicContact CD2-CG2 4.49Å; L848-V852 VanDerWaalsContact O-CG2 3.29Å; L848-V852 WeakPolarHBondContact O-CG2 3.45Å; L848-V852 PolarHBondContact O-N 2.95Å; V852-Q854 VanDerWaalsContact C-N 3.28Å; V852-Q854 PolarHBondContact O-N 3.14Å; V852-I855 PolarHBondContact O-N 3.19Å; V852-I855 VanDerWaalsContact O-N 3.16Å; V852-T856 PolarHBondContact O-N 3.38Å; V852-T856 PolarHBondContact O-OG1 3.05Å
853C59.4Low57Low69 Ų69105.4 Ų105.447%0.46655%0.554SS.*Hα-helixtrans-60.1-34.2178.1-73.30000113.8L849 K857L849-C853 PolarHBondContact O-N 3.03Å; L849-C853 VanDerWaalsContact O-N 3.09Å; L849-C853 PolarHBondContact O-SG 2.9Å; L849-C853 VanDerWaalsContact O-SG 3.41Å; C853-K857 PolarHBondContact O-N 2.98Å; C853-K857 VanDerWaalsContact O-N 3.14Å
854Q65.5Low57.2Low134 Ų134101.3 Ų101.363%0.62654%0.538SS*.Hα-helixtrans-70.4-40.8177.4-165.9175.84.700111.5P850 Y851 V852 K857 E858P850-Q854 PolarHBondContact O-N 3.46Å; P850-Q854 VanDerWaalsContact O-N 3.08Å; Y851-Q854 PolarHBondContact O-N 3.03Å; V852-Q854 VanDerWaalsContact C-N 3.28Å; V852-Q854 PolarHBondContact O-N 3.14Å; Q854-K857 PolarHBondContact O-N 2.98Å; Q854-E858 PolarHBondContact O-N 3.49Å; Q854-E858 VanDerWaalsContact O-N 3.09Å
855I61.8Low57.3Low53 Ų53102.5 Ų102.527%0.27254%0.542SS..Hα-helixtrans-65.9-40.9175.2-68.6174000110.8L834 Y851 V852 K857 E858 L859L834-I855 HydrophobicContact CD2-CD1 4.24Å; Y851-I855 HydrophobicContact CD1-CD1 3.76Å; Y851-I855 HydrophobicContact CE1-CD1 3.59Å; Y851-I855 HydrophobicContact CE1-CG1 4.44Å; Y851-I855 WeakPolarHBondContact O-CG1 3.15Å; Y851-I855 PolarHBondContact O-N 2.94Å; Y851-I855 VanDerWaalsContact O-N 3.1Å; V852-I855 PolarHBondContact O-N 3.19Å; V852-I855 VanDerWaalsContact O-N 3.16Å; I855-K857 PolarHBondContact O-N 3.5Å; I855-E858 PolarHBondContact O-N 3.29Å; I855-L859 HydrophobicContact CG2-CD1 3.78Å; I855-L859 HydrophobicContact CG2-CG 4.42Å; I855-L859 WeakPolarHBondContact O-CB 3.38Å; I855-L859 WeakPolarHBondContact O-CG 3.46Å; I855-L859 PolarHBondContact O-N 3.47Å
856T59.7Low57.3Low66 Ų66100.8 Ų100.841%0.40553%0.53SS..Hα-helixtrans-61.4-45.2177-33.10000111.5V852 E858 L859 E860V852-T856 PolarHBondContact O-N 3.38Å; V852-T856 PolarHBondContact O-OG1 3.05Å; T856-E858 PolarHBondContact O-N 2.86Å; T856-L859 PolarHBondContact O-N 2.99Å; T856-E860 WeakPolarHBondContact O-CG 3.44Å; T856-E860 PolarHBondContact O-N 3.28Å
857K64.1Low56.7Low150 Ų15097.6 Ų97.665%0.65253%0.526SS*.Hα-helixtrans-64.8-38.6178-80.7-176.9175.91790113.4C853 Q854 I855 K861C853-K857 PolarHBondContact O-N 2.98Å; C853-K857 VanDerWaalsContact O-N 3.14Å; Q854-K857 PolarHBondContact O-N 2.98Å; I855-K857 PolarHBondContact O-N 3.5Å; K857-K861 WeakPolarHBondContact O-CB 3.29Å; K857-K861 PolarHBondContact O-N 3Å
858E63.8Low55.7Low90 Ų90102 Ų10242%0.42156%0.557SS.*Hα-helixtrans-70.4-35.4177.7-169.764-160.400111.3Q854 I855 T856 K861 R862Q854-E858 PolarHBondContact O-N 3.49Å; Q854-E858 VanDerWaalsContact O-N 3.09Å; I855-E858 PolarHBondContact O-N 3.29Å; T856-E858 PolarHBondContact O-N 2.86Å; E858-K861 PolarHBondContact O-N 3.3Å; E858-R862 WeakPolarHBondContact O-CG 3.42Å; E858-R862 PolarHBondContact O-N 3.08Å; E858-R862 IonicContact OE1-NE 2.7Å; E858-R862 PolarHBondContact OE1-NE 3.35Å; E858-R862 IonicContact OE1-NH2 3.98Å
859L58.3Low55.9Low69 Ų69103.9 Ų103.936%0.36157%0.569SS.*Hα-helixtrans-66.5-44.6172.7-77.1166.8000112I855 T856 K861 R862 L863I855-L859 HydrophobicContact CG2-CD1 3.78Å; I855-L859 HydrophobicContact CG2-CG 4.42Å; I855-L859 WeakPolarHBondContact O-CB 3.38Å; I855-L859 WeakPolarHBondContact O-CG 3.46Å; I855-L859 PolarHBondContact O-N 3.47Å; T856-L859 PolarHBondContact O-N 2.99Å; L859-K861 VanDerWaalsContact C-N 3.29Å; L859-K861 PolarHBondContact O-N 3.21Å; L859-R862 PolarHBondContact O-N 3.08Å; L859-L863 WeakPolarHBondContact O-CB 3.42Å; L859-L863 VanDerWaalsContact O-CG 3.31Å; L859-L863 WeakPolarHBondContact O-CG 3.4Å; L859-L863 PolarHBondContact O-N 3.03Å
860E61.9Low56.2Low123 Ų123102.1 Ų102.158%0.57556%0.561SS**Hα-helixtrans-58.9-40.5173.9-76.7176.5168.400111.9T856 S864T856-E860 WeakPolarHBondContact O-CG 3.44Å; T856-E860 PolarHBondContact O-N 3.28Å; E860-S864 WeakPolarHBondContact O-CB 3.41Å; E860-S864 PolarHBondContact O-N 3.46Å; E860-S864 PolarHBondContact O-OG 3Å
861K65.1Low55.9Low136 Ų136102.6 Ų102.659%0.59156%0.558SS**Hα-helixtrans-67-37178-165179.5-179.3-174.40112.2K857 E858 L859 S864 T865K857-K861 WeakPolarHBondContact O-CB 3.29Å; K857-K861 PolarHBondContact O-N 3Å; E858-K861 PolarHBondContact O-N 3.3Å; L859-K861 VanDerWaalsContact C-N 3.29Å; L859-K861 PolarHBondContact O-N 3.21Å; K861-S864 WeakPolarHBondContact CA-OG 3.41Å; K861-S864 PolarHBondContact O-OG 3.01Å; K861-T865 PolarHBondContact O-N 3.36Å; K861-T865 PolarHBondContact O-OG1 3.15Å
862R56.1Low55.8Low169 Ų169100.1 Ų100.164%0.63856%0.557SS**Hα-helixtrans-78.2-34.2178.6-72.1-175.5-178.2-147.30.3113E858 L859 T865 S866E858-R862 WeakPolarHBondContact O-CG 3.42Å; E858-R862 PolarHBondContact O-N 3.08Å; E858-R862 IonicContact OE1-NE 2.7Å; E858-R862 PolarHBondContact OE1-NE 3.35Å; E858-R862 IonicContact OE1-NH2 3.98Å; L859-R862 PolarHBondContact O-N 3.08Å; R862-T865 WeakPolarHBondContact CA-OG1 3.45Å; R862-T865 PolarHBondContact O-N 2.78Å; R862-T865 PolarHBondContact O-OG1 3.38Å; R862-S866 PolarHBondContact O-N 3.5Å
863L53.5Low55.8Low101 Ų101102.5 Ų102.553%0.52957%0.569SS.*Hα-helixtrans-67.8-38174.1-74.7164.2000111.6L859 T865 S866 A867L859-L863 WeakPolarHBondContact O-CB 3.42Å; L859-L863 VanDerWaalsContact O-CG 3.31Å; L859-L863 WeakPolarHBondContact O-CG 3.4Å; L859-L863 PolarHBondContact O-N 3.03Å; L863-T865 PolarHBondContact O-N 3.29Å; L863-S866 PolarHBondContact O-N 2.82Å; L863-A867 PolarHBondContact O-N 2.92Å
864S52.5Low55.6Low72 Ų72104.7 Ų104.750%0.50358%0.576SS.*Hα-helixtrans-70.5-27.4176.149.90000114E860 K861E860-S864 WeakPolarHBondContact O-CB 3.41Å; E860-S864 PolarHBondContact O-N 3.46Å; E860-S864 PolarHBondContact O-OG 3Å; K861-S864 WeakPolarHBondContact CA-OG 3.41Å; K861-S864 PolarHBondContact O-OG 3.01Å
865T51.1Low54.8Low100 Ų100102.6 Ų102.661%0.61357%0.572SS**THydrogen-bonded Turntrans-81.5-9.3172.947.70000114.8K861 R862 L863K861-T865 PolarHBondContact O-N 3.36Å; K861-T865 PolarHBondContact O-OG1 3.15Å; R862-T865 WeakPolarHBondContact CA-OG1 3.45Å; R862-T865 PolarHBondContact O-N 2.78Å; R862-T865 PolarHBondContact O-OG1 3.38Å; L863-T865 PolarHBondContact O-N 3.29Å
866S43.2Very low54.3Low76 Ų76106.5 Ų106.553%0.53160%0.595SS.*THydrogen-bonded Turntrans-98.6-11.9176.1178.10000112.8R862 L863R862-S866 PolarHBondContact O-N 3.5Å; L863-S866 PolarHBondContact O-N 2.82Å
867A41Very low53.9Low93 Ų93109.8 Ų109.877%0.76961%0.611SS**  trans-102.64.5178.800000113.2L863L863-A867 PolarHBondContact O-N 2.92Å
868A35.8Very low52.9Low139 Ų139106.2 Ų106.2100%1.14961%0.607SS**  trans-114.90167.900000108.4

Retrieved 868 of 868 residues in 1121.3 ms (Link to these results)

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